654799 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 10 10 11 12 13 14 15 15 16 16 16 17 17 18 20 20 20 21 21 22 22 23 24 24 25 10 16 11 17 14 19 9 18 28 19 20 36 23 25 9 12 14 13 11 12 13 26 27 15 18 19 17 29 30 31 32 33 21 34 35 22 23 24 37 38 25 39 40 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 2.9061 2.9061 6.4144 8.1923 6.426 9.0641 11.6679 5.5321 5.5321 3.8 3.8 4.666 4.666 6.426 7.3321 2 2 7.3321 8.1962 9.9282 10.7961 11.6602 10.8 12.5282 12.532 4.666 4.666 6.4188 1.7909 1.3891 1.3891 1.7909 7.8678 10.3249 9.5278 9.0665 11.6578 10.2643 13.0639 13.0702 0.8447 -1.2246 1.8446 1.8342 -1.2246 0.3375 -1.1525 0.31 -0.69 0.31 -0.69 0.81 -1.19 0.8447 0.3308 0.3308 -0.7108 -0.7108 0.8342 0.8408 0.3442 0.8475 -0.6558 0.3509 -0.6491 1.43 -1.81 -1.8446 0.9145 0.2247 -0.6047 -1.2945 -1.0229 1.3173 1.3142 -0.2825 1.4675 -0.9679 0.6629 -0.9571 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 8 9 10 10 11 14 15 21 21 22 24 9 18 23 25 9 12 14 13 11 12 13 15 18 22 23 24 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 565 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B38000000000000000000000000000000000000003C488100000000000091C000001E00100000000C0CE19A063CC692C81400A802B577540082882035222008D8A13EECD80D26FACCF59B8639AAE6D619CAE9C7BADDB3DE20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxo-N-(3-pyridylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxo-<I>N</I>-(pyridin-3-ylmethyl)-3,6-dihydro-2<I>H</I>-[1,4]dioxino[2,3-g]quinoline-8-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxo-N-(pyridin-3-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxidanylidene-N-(pyridin-3-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 9-keto-N-(3-pyridylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H15N3O4/c22-17-12-6-15-16(25-5-4-24-15)7-14(12)20-10-13(17)18(23)21-9-11-2-1-3-19-8-11/h1-3,6-8,10H,4-5,9H2,(H,20,22)(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BMCGIWXTTHMTSP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.10625597 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H15N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1COC2=C(O1)C=C3C(=C2)NC=C(C3=O)C(=O)NCC4=CN=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1COC2=C(O1)C=C3C(=C2)NC=C(C3=O)C(=O)NCC4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 89.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.10625597 25 0 0 0 0 0 0 0 1 -1