777110 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 6 7 8 8 9 10 10 11 11 12 13 13 13 6 13 5 12 7 19 20 5 6 10 7 8 9 9 14 15 11 16 12 17 18 21 22 23 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 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 2.866 4.626 2.866 3.732 3.732 2.866 2.866 2 2 4.626 5.5321 5.5321 2 1.4631 1.4631 4.6188 6.0678 6.0678 2.3291 3.403 2.31 1.4631 1.69 1.905 -1.1297 -2.095 0.405 -0.595 0.905 -1.095 0.405 -0.595 0.9397 0.4258 -0.6158 2.405 0.715 -0.905 1.5596 0.7379 -0.9279 -2.405 -2.405 2.9419 2.715 1.8681 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 4 5 6 7 8 10 11 5 12 5 6 10 7 8 9 9 11 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 174 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000000000000003C4000000000000000B1F000001E00100000000C0CC19E063EC6F2481400A0033467440082882031322008D8203E7C980C66E2C4B19B94302866D019C8E807B0D0A30E00400042000A00200080008400140040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxyquinolin-8-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxy-8-quinolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxyquinolin-8-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxyquinolin-8-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxyquinolin-8-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-methoxy-8-quinolyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10N2O/c1-13-9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,11H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MFLLTRMMFHENCM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.079312947 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C2C=CC=NC2=C(C=C1)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C2C=CC=NC2=C(C=C1)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 48.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.079312947 13 0 0 0 0 0 0 0 1 -1