4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid

C18H15N3O3 — CID 90833428

IUPAC4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
SMILESCc1ccc2cc(NC(=O)Nc3ccc(C(=O)O)cc3)ccc2n1
InChIInChI=1S/C18H15N3O3/c1-11-2-3-13-10-15(8-9-16(13)19-11)21-18(24)20-14-6-4-12(5-7-14)17(22)23/h2-10H,1H3,(H,22,23)(H2,20,21,24)
InChIKeyNUIIOWVAHWUZAP-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.89
Rot. Bonds3

About 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid

4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid (PubChem CID 90833428) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
PubChem CID90833428
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid
SMILESCc1ccc2cc(NC(=O)Nc3ccc(C(=O)O)cc3)ccc2n1
InChIInChI=1S/C18H15N3O3/c1-11-2-3-13-10-15(8-9-16(13)19-11)21-18(24)20-14-6-4-12(5-7-14)17(22)23/h2-10H,1H3,(H,22,23)(H2,20,21,24)
InChIKeyNUIIOWVAHWUZAP-UHFFFAOYSA-N
XLogP3.89
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-N-(2-methylquinolin-6-yl)propanamide
CID 139918789
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086
N-(2-methylquinolin-6-yl)formamide
CID 58958350
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
CID 51062889
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid (CID 90833428) is 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid is Cc1ccc2cc(NC(=O)Nc3ccc(C(=O)O)cc3)ccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid?
The InChIKey is NUIIOWVAHWUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-2-3-13-10-15(8-9-16(13)19-11)21-18(24)20-14-6-4-12(5-7-14)17(22)23/h2-10H,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid?
4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid has a molecular weight of 321.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-6-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 90833428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).