70135078 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 8 7 7 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 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 9 10 10 11 11 12 13 14 14 15 15 16 16 16 17 17 18 18 19 8 8 9 25 12 13 5 6 8 20 7 21 22 10 23 24 9 11 12 14 15 13 26 27 16 17 28 18 29 30 31 32 19 33 19 34 35 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 4 5 6 8 20 3 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 2.866 4.5981 7.2641 3.732 4.5981 2.866 5.4641 3.732 5.4641 2.866 6.358 6.358 7.2641 3.732 2 8.1282 3.732 2 2.866 3.732 4.9966 4.1996 2.2554 2.654 4.5981 6.3509 6.3509 4.269 1.4631 8.4403 8.6639 7.8161 4.269 1.4631 2.866 -2.19 -2.19 -1.7108 -0.69 -0.19 -0.19 -0.69 -1.69 -1.69 0.81 -0.1553 -2.2247 -0.6692 1.31 1.31 -0.1658 2.31 2.31 2.81 -0.07 0.2849 0.2849 -0.0823 -0.7726 -2.81 0.4646 -2.8446 1 1 -0.7016 0.1462 0.3699 2.62 2.62 3.43 8 8 3 8 8 8 8 8 8 8 8 8 8 3 3 4 7 7 9 10 10 11 14 15 17 18 12 13 6 9 11 12 14 15 13 17 18 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C5880000000000000B1C000001E00100000000D08C19E043EC092C81000A8033577540082802031122008D821387498086072C09191942008609400C8C8071889C09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-6-methyl-3,4-dihydro-1H-1,7-naphthyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-(phenylmethyl)-3,4-dihydro-1H-1,7-naphthyridin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-6-methyl-3,4-dihydro-1<I>H</I>-1,7-naphthyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-6-methyl-3,4-dihydro-1H-1,7-naphthyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-3-(phenylmethyl)-3,4-dihydro-1H-1,7-naphthyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-6-methyl-3,4-dihydro-1H-1,7-naphthyridin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H16N2O/c1-11-7-13-9-14(8-12-5-3-2-4-6-12)16(19)18-15(13)10-17-11/h2-7,10,14H,8-9H2,1H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HQEUYTSZPFIKRS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=N1)NC(=O)C(C2)CC3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=N1)NC(=O)C(C2)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.126263138 19 1 0 1 0 0 0 0 1 -1