44887545 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 8 7 7 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 2 2 2 3 3 4 4 4 5 6 6 7 8 8 9 10 10 11 12 12 13 14 14 15 15 16 16 17 17 18 9 30 6 10 20 5 11 5 7 8 9 7 11 19 12 21 13 14 15 22 13 23 24 16 25 17 26 18 27 18 28 29 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 2 1 2 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 2.9176 6.3981 4.666 3.8 3.8 5.5321 4.666 2.9061 2.9061 7.2641 5.5321 2 2 7.2641 8.1301 8.1301 8.9962 8.9962 4.666 6.3981 2.9132 6.069 1.4643 1.4643 6.7272 8.1301 8.1301 9.5331 9.5331 2.3843 -1.6692 1.3654 -0.6346 0.8654 -0.1346 0.8654 1.3654 1.4 -0.6693 0.8654 -0.1346 0.8862 -0.1554 -0.1346 1.3654 -0.6346 0.8654 -0.1346 1.9854 1.9854 2.02 -0.4446 1.1983 -0.4675 -0.4446 1.9854 -1.2546 1.1754 -0.4446 -1.9854 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 6 6 8 9 10 10 12 14 15 16 17 5 11 5 7 8 9 7 11 12 13 14 15 13 16 17 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 265 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 2 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 00000371C07320000000000000000000000000000000000000003C6080000000000000B1F400001E00100800000C0CC19E043CC6F2C81200A0033467440482802031722008D8202F7C980A66E2D2919394700864D011D8D80790D0B30E00000100000210000000020000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-anilinoquinolin-8-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-anilino-8-quinolinol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-anilinoquinolin-8-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-anilinoquinolin-8-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenylazanylquinolin-8-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-anilinoquinolin-8-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H12N2O/c18-14-8-4-5-11-9-13(10-16-15(11)14)17-12-6-2-1-3-7-12/h1-10,17-18H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BPJXTVCIZAREGR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 45.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.094963011 18 0 0 0 0 0 0 0 1 -1