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

C103H74Cl8N10O23P+ — CID 157364567

IUPACbis(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
SMILESCC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.CC(=O)c1ccc2ccc[n+](O)c2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H10NO2.2C10H6ClNO2.4C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-8(13)10-5-4-9-3-2-6-12(14)11(9)7-10;2*11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;2*12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;2*12-9-4-3-6-1-2-7(10(13)14)5-8(6)11-9;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;2*1-5H,(H,13,14);4*1-5H,(H,11,12)(H,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;;;;
InChIKeyDOIPDIHOVBZBDX-UHFFFAOYSA-N
MW2134.37 g/mol
LogP22.99
Rot. Bonds10

About 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

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 (PubChem CID 157364567) has the molecular formula C103H74Cl8N10O23P+ and a molecular weight of 2134.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID157364567
Molecular FormulaC103H74Cl8N10O23P+
Molecular Weight2134.37 g/mol
Exact Mass2129.22
IUPAC Namebis(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
SMILESCC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.CC(=O)c1ccc2ccc[n+](O)c2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H10NO2.2C10H6ClNO2.4C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-8(13)10-5-4-9-3-2-6-12(14)11(9)7-10;2*11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;2*12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;2*12-9-4-3-6-1-2-7(10(13)14)5-8(6)11-9;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;2*1-5H,(H,13,14);4*1-5H,(H,11,12)(H,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;;;;
InChIKeyDOIPDIHOVBZBDX-UHFFFAOYSA-N
XLogP22.99
TPSA549.38 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002134.37
LogP ≤ 522.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 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 with MolForge

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Launch Full Analysis

Related Compounds

magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide
CID 157465810
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;ethyl 2-chloro-4-(4-fluorophenyl)quinoline-7-carboxylate;ethyl 4-chloroquinoline-7-carboxylate;ethyl 4-(4-fluorophenyl)-1-oxidoquinolin-1-ium-7-carboxylate;ethyl 4-(4-fluorophenyl)quinoline-7-carboxylate
CID 157669117
2-chloro-4-methyl-3-nitropyridine;8-(2,4-dichlorophenyl)-2,3-dimethyl-1H-1,7-naphthyridin-4-one;bis(2-(2,4-dichlorophenyl)-4-methyl-3-nitropyridine);2-(2,4-dichlorophenyl)-4-methylpyridin-3-amine;2-(2,4-dichlorophenyl)-3-nitropyridine-4-carboxylic acid;ethane
CID 157691139
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
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-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide;(2,4,6-trimethyl-3-pyridinyl)methanamine
CID 158357503
4-chloroquinoline-7-carboxylic acid;2-oxo-1H-quinoline-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid
CID 159348959
2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide;methane;(2,4,6-trimethyl-3-pyridinyl)methanamine
CID 159621487
2-chloro-4-methyl-3-nitropyridine;8-(2,4-dichlorophenyl)-2,3-dimethyl-1H-1,7-naphthyridin-4-one;bis(2-(2,4-dichlorophenyl)-4-methyl-3-nitropyridine);2-(2,4-dichlorophenyl)-4-methylpyridin-3-amine;2-(2,4-dichlorophenyl)-3-nitropyridine-4-carboxylic acid;ethane
CID 160277448
4-[(4-carboxyphenyl)-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propylamino]methyl]benzoic acid;1-(7-chloroquinolin-4-yl)-N,N-diphenylpiperidin-4-amine;3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(dipyridin-4-ylmethyl)propan-1-amine;N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-pyridin-4-ylpyridin-4-amine;N,N-dibenzyl-1-(7-chloroquinolin-4-yl)piperidin-4-amine
CID 160450446
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.CC(=O)c1ccc2ccc[n+](O)c2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2ccc(=O)[nH]c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 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?
The InChIKey is DOIPDIHOVBZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8ClNO.C11H10NO2.2C10H6ClNO2.4C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-8(13)10-5-4-9-3-2-6-12(14)11(9)7-10;2*11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;2*12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;2*12-9-4-3-6-1-2-7(10(13)14)5-8(6)11-9;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-7,14H,1H3;2*1-5H,(H,13,14);4*1-5H,(H,11,12)(H,13,14);1-6H,(H,12,13);;1H/q;;+1;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2134.37 g/mol, XLogP of 22.99, 10 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157364567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).