2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid

C20H19N3O3 — CID 50783034

IUPAC2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccc3nc(N(C)C)cc(C(=O)O)c3c2)cc1
InChIInChI=1S/C20H19N3O3/c1-12-4-6-13(7-5-12)19(24)21-14-8-9-17-15(10-14)16(20(25)26)11-18(22-17)23(2)3/h4-11H,1-3H3,(H,21,24)(H,25,26)
InChIKeyINUWVLHYXMGIAK-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.56
Rot. Bonds4

About 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid

2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid (PubChem CID 50783034) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid
PubChem CID50783034
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccc3nc(N(C)C)cc(C(=O)O)c3c2)cc1
InChIInChI=1S/C20H19N3O3/c1-12-4-6-13(7-5-12)19(24)21-14-8-9-17-15(10-14)16(20(25)26)11-18(22-17)23(2)3/h4-11H,1-3H3,(H,21,24)(H,25,26)
InChIKeyINUWVLHYXMGIAK-UHFFFAOYSA-N
XLogP3.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
6-[(4-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46326933
6-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 46326914
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
N-[2-(dimethylamino)-4-methylquinolin-7-yl]acetamide
CID 503988
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid (CID 50783034) is 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid is Cc1ccc(C(=O)Nc2ccc3nc(N(C)C)cc(C(=O)O)c3c2)cc1.
What is the InChIKey of 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid?
The InChIKey is INUWVLHYXMGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-4-6-13(7-5-12)19(24)21-14-8-9-17-15(10-14)16(20(25)26)11-18(22-17)23(2)3/h4-11H,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid?
2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 50783034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).