6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide

C22H16ClN3O2S — CID 46513513

IUPAC6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H16ClN3O2S/c1-13-18(11-14-10-15(23)7-8-19(14)24-13)21(27)25-16-4-2-5-17(12-16)26-22(28)20-6-3-9-29-20/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyAUFJLZUBPWJSQM-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.76
Rot. Bonds4

About 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide

6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide (PubChem CID 46513513) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
PubChem CID46513513
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H16ClN3O2S/c1-13-18(11-14-10-15(23)7-8-19(14)24-13)21(27)25-16-4-2-5-17(12-16)26-22(28)20-6-3-9-29-20/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyAUFJLZUBPWJSQM-UHFFFAOYSA-N
XLogP5.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 29370670
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
[4-(thiophene-2-carbonylamino)phenyl] 2-methylquinoline-3-carboxylate
CID 86914619
6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
CID 39987741
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide (CID 46513513) is 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide?
The InChIKey is AUFJLZUBPWJSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c1-13-18(11-14-10-15(23)7-8-19(14)24-13)21(27)25-16-4-2-5-17(12-16)26-22(28)20-6-3-9-29-20/h2-12H,1H3,(H,25,27)(H,26,28).
What are the key properties of 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide?
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 46513513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).