4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride

C74H56Cl7N6O15P+2 — CID 160610739

IUPAC4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccc2c(ccc[n+]2O)c1.CC(=O)c1ccc2nc(Cl)ccc2c1.CC(=O)c1ccc2nccc(Cl)c2c1.Cl.O=C(O)c1ccc2c(c1)C(=O)[C+]=CN2.O=C(O)c1ccc2nccc(Cl)c2c1.O=C(O)c1ccc2ncccc2c1.O=C1C=CC2C=C(C(=O)O)C=CC2C1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H10NO2.C11H10O3.C10H6ClNO2.C10H5NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-4-10-9(6-8)3-5-11(12)13-10;1-7(14)8-2-3-11-9(6-8)10(12)4-5-13-11;1-8(13)9-4-5-11-10(7-9)3-2-6-12(11)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9;12-9-3-4-11-8-2-1-6(10(13)14)5-7(8)9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;1-5,7-8H,6H2,(H,13,14);1-5H,(H,13,14);1-2,4-5H,(H-,11,12,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;/p+1
InChIKeyFLQBLFLGDYFDGP-UHFFFAOYSA-O
MW1548.43 g/mol
LogP18.14
Rot. Bonds7

About 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride

4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride (PubChem CID 160610739) has the molecular formula C74H56Cl7N6O15P+2 and a molecular weight of 1548.43 g/mol. Its IUPAC name is 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride
PubChem CID160610739
Molecular FormulaC74H56Cl7N6O15P+2
Molecular Weight1548.43 g/mol
Exact Mass1544.13
IUPAC Name4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccc2c(ccc[n+]2O)c1.CC(=O)c1ccc2nc(Cl)ccc2c1.CC(=O)c1ccc2nccc(Cl)c2c1.Cl.O=C(O)c1ccc2c(c1)C(=O)[C+]=CN2.O=C(O)c1ccc2nccc(Cl)c2c1.O=C(O)c1ccc2ncccc2c1.O=C1C=CC2C=C(C(=O)O)C=CC2C1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H10NO2.C11H10O3.C10H6ClNO2.C10H5NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-4-10-9(6-8)3-5-11(12)13-10;1-7(14)8-2-3-11-9(6-8)10(12)4-5-13-11;1-8(13)9-4-5-11-10(7-9)3-2-6-12(11)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9;12-9-3-4-11-8-2-1-6(10(13)14)5-7(8)9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;1-5,7-8H,6H2,(H,13,14);1-5H,(H,13,14);1-2,4-5H,(H-,11,12,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;/p+1
InChIKeyFLQBLFLGDYFDGP-UHFFFAOYSA-O
XLogP18.14
TPSA339.32 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001548.43
LogP ≤ 518.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

aniline;2-chloro-4-(trifluoromethyl)quinoline;2-chloro-4-(trifluoromethyl)quinoline-3-carboxylic acid;ethyl 3-oxobutanoate;methane;molecular fluorine;molecular hydrogen;molecular iodine;phosphoryl trichloride;4-(trifluoromethyl)quinoline-3-carboxylic acid;4-(trifluoromethyl)-1H-quinolin-2-one
CID 161677019
bis(4-chloroquinoline-7-carboxylic acid);1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-(1-hydroxyquinolin-1-ium-7-yl)ethanone;bis(2-oxo-1H-quinoline-7-carboxylic acid);bis(4-oxo-1H-quinoline-7-carboxylic acid);phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
CID 157364567
4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-(1-hydroxyquinolin-1-ium-7-yl)ethanone;2-oxo-1H-quinoline-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
CID 157653300
4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-(1-methylquinolin-1-ium-7-yl)ethanone;2-oxo-1H-quinoline-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
CID 157721301
4-chloroquinoline-6-carboxylic acid;6-oxo-5H-naphthalene-2-carboxylic acid;4-oxo-1H-quinoline-6-carboxylic acid
CID 158031707
aniline;2-chloro-N-methyl-N-phenylpyridine-3-carboxamide;2-chloro-N-phenylpyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride;2-chloropyridine-3-carboxylic acid;ethane;6-methylbenzo[h][1,6]naphthyridin-5-one;1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;6-methyl-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
CID 158032906
2-[(5-Chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid;5-methyl-2-(quinolin-3-ylamino)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydroquinolin-3-ylamino)benzoic acid
CID 159619669
ethyl 4-chloroquinoline-6-carboxylate;ethyl 4-oxo-1H-quinoline-6-carboxylate;phosphoryl trichloride
CID 159760528
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-(isoquinolin-3-ylmethyl)piperidine-1-carboxylate;3-chloroisoquinoline;deuterio(fluoro)methane;N-[4-[(3S)-3-(isoquinolin-3-ylmethyl)piperidine-1-carbonyl]phenyl]prop-2-enamide;3-[[(3S)-piperidin-3-yl]methyl]isoquinoline;4-(prop-2-enoylamino)benzoic acid;dihydrochloride
CID 160534186
7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
CID 160699595
Methyl 4-chloroquinoline-6-carboxylate;methyl 1-hydroxyquinolin-1-ium-6-carboxylate;methyl 4-phenylquinoline-6-carboxylate;methyl quinoline-6-carboxylate;phenylboronic acid;phosphoryl trichloride;quinoline-6-carboxylic acid
CID 160990476
Methyl 2-chloroquinoline-6-carboxylate;methyl 1-oxidoquinolin-1-ium-6-carboxylate;methyl quinoline-6-carboxylate;phosphoryl trichloride;tris(vanadium)
CID 161288200

Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride (CID 160610739) is 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride is CC(=O)c1ccc2c(ccc[n+]2O)c1.CC(=O)c1ccc2nc(Cl)ccc2c1.CC(=O)c1ccc2nccc(Cl)c2c1.Cl.O=C(O)c1ccc2c(c1)C(=O)[C+]=CN2.O=C(O)c1ccc2nccc(Cl)c2c1.O=C(O)c1ccc2ncccc2c1.O=C1C=CC2C=C(C(=O)O)C=CC2C1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride?
The InChIKey is FLQBLFLGDYFDGP-UHFFFAOYSA-O. The full InChI is InChI=1S/2C11H8ClNO.C11H10NO2.C11H10O3.C10H6ClNO2.C10H5NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-4-10-9(6-8)3-5-11(12)13-10;1-7(14)8-2-3-11-9(6-8)10(12)4-5-13-11;1-8(13)9-4-5-11-10(7-9)3-2-6-12(11)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9;12-9-3-4-11-8-2-1-6(10(13)14)5-7(8)9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;1-5,7-8H,6H2,(H,13,14);1-5H,(H,13,14);1-2,4-5H,(H-,11,12,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;/p+1.
What are the key properties of 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride?
4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride has a molecular weight of 1548.43 g/mol, XLogP of 18.14, 7 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline-6-carboxylic acid;1-(2-chloroquinolin-6-yl)ethanone;1-(4-chloroquinolin-6-yl)ethanone;1-(1-hydroxyquinolin-1-ium-6-yl)ethanone;6-oxo-5,8a-dihydro-4aH-naphthalene-2-carboxylic acid;4-oxo-1,3-dihydroquinolin-3-ylium-6-carboxylic acid;phosphoryl trichloride;quinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 160610739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).