4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid

C19H17N3O3 — CID 58173125

IUPAC4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
SMILESCNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-11-3-6-13(7-4-11)22-17-14-9-12(18(23)20-2)5-8-16(14)21-10-15(17)19(24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyZKEXICGZUSPQRO-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.34
Rot. Bonds4

About 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid

4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid (PubChem CID 58173125) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
PubChem CID58173125
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
SMILESCNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-11-3-6-13(7-4-11)22-17-14-9-12(18(23)20-2)5-8-16(14)21-10-15(17)19(24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyZKEXICGZUSPQRO-UHFFFAOYSA-N
XLogP3.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
CID 7719106
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid (CID 58173125) is 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid is CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(C)cc3)c2c1.
What is the InChIKey of 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid?
The InChIKey is ZKEXICGZUSPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-3-6-13(7-4-11)22-17-14-9-12(18(23)20-2)5-8-16(14)21-10-15(17)19(24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid?
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 58173125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).