3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid

C19H17N3O3 — CID 58946117

IUPAC3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
SMILESCc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)O)cc23)c1
InChIInChI=1S/C19H17N3O3/c1-10-4-3-5-13(6-10)22-17-14-8-12(19(24)25)7-11(2)16(14)21-9-15(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)(H,24,25)
InChIKeyCUJUBSGHSLVGAB-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.39
Rot. Bonds4

About 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid

3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid (PubChem CID 58946117) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
PubChem CID58946117
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
SMILESCc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)O)cc23)c1
InChIInChI=1S/C19H17N3O3/c1-10-4-3-5-13(6-10)22-17-14-8-12(19(24)25)7-11(2)16(14)21-9-15(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)(H,24,25)
InChIKeyCUJUBSGHSLVGAB-UHFFFAOYSA-N
XLogP3.39
TPSA105.31 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 ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide
CID 58505056
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
[3-carbamoyl-4-(3-cyanoanilino)-8-methylquinolin-6-yl]methanesulfinate
CID 174515980
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
CID 11328073
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
3,5-difluoro-4-(3-methylanilino)benzoic acid
CID 55159434

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid?
The IUPAC name of 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid (CID 58946117) is 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid?
The canonical SMILES for 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid is Cc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)O)cc23)c1.
What is the InChIKey of 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid?
The InChIKey is CUJUBSGHSLVGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-4-3-5-13(6-10)22-17-14-8-12(19(24)25)7-11(2)16(14)21-9-15(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)(H,24,25).
What are the key properties of 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid?
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid is sourced from PubChem (CID 58946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).