3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid

C23H24N2O3 — CID 23724094

IUPAC3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
SMILESCC(C)C(C)N(Cc1cccc(C(=O)O)c1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-7-6-9-19(13-17)23(27)28)22(26)21-12-11-18-8-4-5-10-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28)
InChIKeyNVPKDBBBUJFYRO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.62
Rot. Bonds6

About 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid

3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 23724094) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
PubChem CID23724094
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
SMILESCC(C)C(C)N(Cc1cccc(C(=O)O)c1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-7-6-9-19(13-17)23(27)28)22(26)21-12-11-18-8-4-5-10-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28)
InChIKeyNVPKDBBBUJFYRO-UHFFFAOYSA-N
XLogP4.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]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

Pf-05105679
CID 60195662
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
4-[[6-[3-(Hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 118191092
2-[2-(2,4-Dimethylanilino)-2-oxoethyl]-4-quinolinecarboxylic acid
CID 778217
2-(2-Quinolyl)cinchoninic acid
CID 919750
2-(4-Isopropylphenyl)quinoline-4-carboxylic acid
CID 623973
2-Methylquinoline-6-carboxylic acid
CID 604483
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-2-ylmethanone
CID 54581199
2-(Quinoline-2-carbonylamino)benzoic acid
CID 878043
N,N-Diethyl-4-phenylquinoline-2-carboxamide
CID 13272353
4-fluoro-3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288012
3-[[[(1R)-1-(4-fluorophenyl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288164

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid (CID 23724094) is 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid is CC(C)C(C)N(Cc1cccc(C(=O)O)c1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is NVPKDBBBUJFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-7-6-9-19(13-17)23(27)28)22(26)21-12-11-18-8-4-5-10-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28).
What are the key properties of 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 23724094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).