8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one

C85H63F3N10O16 — CID 160997196

IUPAC8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc[nH]c2c1.O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.O=C(O)c1ccc2cccnc2c1O.O=[N+]([O-])c1ccc(O)c2ncccc12.O=c1cc2ccccc2c[nH]1.O=c1cc[nH]c2ccccc12.O=c1ccc2ccccc2[nH]1.Oc1ccc2cccnc2c1.Oc1ccc2ncccc2c1
InChIInChI=1S/C11H6F3NO3.C10H7NO3.C10H9NO2.C9H6N2O3.5C9H7NO/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;1-13-7-2-3-8-9(6-7)11-5-4-10(8)12;12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;11-8-3-4-9-7(6-8)2-1-5-10-9;11-8-4-3-7-2-1-5-10-9(7)6-8;11-9-5-7-3-1-2-4-8(7)6-10-9;11-9-5-6-10-8-4-2-1-3-7(8)9;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,(H,15,16)(H,17,18);1-5,12H,(H,13,14);2-6H,1H3,(H,11,12);1-5,12H;2*1-6,11H;3*1-6H,(H,10,11)
InChIKeyTVKDCHRKMFSPHM-UHFFFAOYSA-N
MW1537.49 g/mol
LogP15.73
Rot. Bonds4

About 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one

8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one (PubChem CID 160997196) has the molecular formula C85H63F3N10O16 and a molecular weight of 1537.49 g/mol. Its IUPAC name is 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one.

Molecular Properties

Compound Name8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one
PubChem CID160997196
Molecular FormulaC85H63F3N10O16
Molecular Weight1537.49 g/mol
Exact Mass1536.44
IUPAC Name8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc[nH]c2c1.O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.O=C(O)c1ccc2cccnc2c1O.O=[N+]([O-])c1ccc(O)c2ncccc12.O=c1cc2ccccc2c[nH]1.O=c1cc[nH]c2ccccc12.O=c1ccc2ccccc2[nH]1.Oc1ccc2cccnc2c1.Oc1ccc2ncccc2c1
InChIInChI=1S/C11H6F3NO3.C10H7NO3.C10H9NO2.C9H6N2O3.5C9H7NO/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;1-13-7-2-3-8-9(6-7)11-5-4-10(8)12;12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;11-8-3-4-9-7(6-8)2-1-5-10-9;11-8-4-3-7-2-1-5-10-9(7)6-8;11-9-5-7-3-1-2-4-8(7)6-10-9;11-9-5-6-10-8-4-2-1-3-7(8)9;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,(H,15,16)(H,17,18);1-5,12H,(H,13,14);2-6H,1H3,(H,11,12);1-5,12H;2*1-6,11H;3*1-6H,(H,10,11)
InChIKeyTVKDCHRKMFSPHM-UHFFFAOYSA-N
XLogP15.73
TPSA423.75 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001537.49
LogP ≤ 515.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one with MolForge

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Related Compounds

2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one
CID 159678480
methyl 5-[(2-amino-2-oxoethyl)carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate
CID 158505050
(1-Acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate
CID 158545325
Methyl 5-(diformylamino)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 5-(diformylamino)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-formamido-8-methoxyquinoline-7-carboxylate
CID 159301204
Methyl 5-(2-acetamidoethylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 5-[[2-(4-fluorophenyl)acetyl]amino]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(oxan-4-ylcarbamoyl)quinoline-7-carboxylate
CID 160550129
Methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methylpropanoylamino)quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-methoxy-5-(2-methylpropanoylamino)quinoline-7-carboxylate
CID 161650010
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 176324782

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one?
The IUPAC name of 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one (CID 160997196) is 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one.
What is the SMILES notation for 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one?
The canonical SMILES for 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one is COc1ccc2c(=O)cc[nH]c2c1.O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.O=C(O)c1ccc2cccnc2c1O.O=[N+]([O-])c1ccc(O)c2ncccc12.O=c1cc2ccccc2c[nH]1.O=c1cc[nH]c2ccccc12.O=c1ccc2ccccc2[nH]1.Oc1ccc2cccnc2c1.Oc1ccc2ncccc2c1.
What is the InChIKey of 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one?
The InChIKey is TVKDCHRKMFSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3.C10H7NO3.C10H9NO2.C9H6N2O3.5C9H7NO/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18;12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9;1-13-7-2-3-8-9(6-7)11-5-4-10(8)12;12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;11-8-3-4-9-7(6-8)2-1-5-10-9;11-8-4-3-7-2-1-5-10-9(7)6-8;11-9-5-7-3-1-2-4-8(7)6-10-9;11-9-5-6-10-8-4-2-1-3-7(8)9;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,(H,15,16)(H,17,18);1-5,12H,(H,13,14);2-6H,1H3,(H,11,12);1-5,12H;2*1-6,11H;3*1-6H,(H,10,11).
What are the key properties of 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one?
8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one has a molecular weight of 1537.49 g/mol, XLogP of 15.73, 4 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinoline-7-carboxylic acid;2H-isoquinolin-3-one;7-methoxy-1H-quinolin-4-one;5-nitroquinolin-8-ol;4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;quinolin-6-ol;quinolin-7-ol;1H-quinolin-2-one;1H-quinolin-4-one is sourced from PubChem (CID 160997196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).