69658925 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 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 6 7 8 8 9 9 10 10 11 12 12 13 14 16 16 16 26 11 16 15 25 15 7 14 7 8 9 10 12 17 13 18 11 19 13 14 15 20 21 22 23 24 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 2 1 1 2 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 24 25 26 3.5356 1.4061 7.5343 6.6682 4.9362 4.0702 4.0702 4.9362 3.1762 3.1762 2.2702 5.8022 2.2702 5.8022 6.6682 0.5381 4.9362 3.1834 3.1834 1.7344 6.3392 0.8461 0 0.2302 8.0712 4.5356 0 3.163 4.6871 6.1871 3.1871 4.6871 3.6871 5.1871 5.2218 3.1525 3.6663 4.6871 4.708 3.6871 5.1871 3.6596 5.8071 5.8418 2.5325 5.02 3.3771 4.1978 3.9676 3.1215 4.9971 0 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 6 7 8 9 10 11 12 7 14 7 8 9 10 12 13 11 13 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 244 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C07230000400000000000000000000000000000000003C4000000000000000B1F000001E00000800000C0CC19E063ECEF2081600A80334F74C0082882035222008D8213E6CD80C26FAC4B59B8471A866C019C8F9C798D9E39E20000002000200004000000400040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxyquinoline-3-carboxylic acid;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxy-3-quinolinecarboxylic acid;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxyquinoline-3-carboxylic acid;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxyquinoline-3-carboxylic acid;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxyquinoline-3-carboxylic acid;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methoxyquinoline-3-carboxylic acid;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H9NO3.ClH/c1-15-9-3-2-7-4-8(11(13)14)6-12-10(7)5-9;/h2-6H,1H3,(H,13,14);1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IJBLQSIAQFHEOB-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.0349209 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10ClNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.65 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=NC=C(C=C2C=C1)C(=O)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=NC=C(C=C2C=C1)C(=O)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.0349209 16 0 0 0 0 0 0 0 2 -1