2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid

C22H16N2O3S — CID 58191384

IUPAC2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1
InChIInChI=1S/C22H16N2O3S/c1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyYJTJDZBKIJRDIP-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.22
Rot. Bonds4

About 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid

2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 58191384) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID58191384
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1
InChIInChI=1S/C22H16N2O3S/c1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyYJTJDZBKIJRDIP-UHFFFAOYSA-N
XLogP5.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 58191269
2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191222
4-(1,3-benzothiazole-2-carbonylamino)-2-(4-bromophenyl)thiophene-3-carboxylic acid
CID 58191217
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
2-(4-methylphenyl)-4-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250578
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
2-(6-chloro-3-pyridinyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191464
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid (CID 58191384) is 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is YJTJDZBKIJRDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 388.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).