4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid

C32H25N3O5 — CID 166801916

IUPAC4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H25N3O5/c36-29-25-18-24(15-16-27(25)33-19-26(29)32(39)40)34-31(38)28(17-20-7-3-1-4-8-20)35-30(37)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-16,18-19,28H,17H2,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t28-/m0/s1
InChIKeyAIHPKSUWOSQACS-NDEPHWFRSA-N
MW531.57 g/mol
LogP4.87
Rot. Bonds8

About 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid

4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid (PubChem CID 166801916) has the molecular formula C32H25N3O5 and a molecular weight of 531.57 g/mol. Its IUPAC name is 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
PubChem CID166801916
Molecular FormulaC32H25N3O5
Molecular Weight531.57 g/mol
Exact Mass531.18
IUPAC Name4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H25N3O5/c36-29-25-18-24(15-16-27(25)33-19-26(29)32(39)40)34-31(38)28(17-20-7-3-1-4-8-20)35-30(37)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-16,18-19,28H,17H2,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t28-/m0/s1
InChIKeyAIHPKSUWOSQACS-NDEPHWFRSA-N
XLogP4.87
TPSA128.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.57
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic 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

ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid
CID 159472944
4-[[2-benzamido-3-(4-phenylphenyl)propanoyl]amino]-N-hydroxybenzamide
CID 73041441
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
7-[4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-anilino-3-oxopropyl]phenyl]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 122527879
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
6-[(3S)-3-[(3-chloro-4-phenylbenzoyl)amino]-2-oxobutyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 158357178
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516
tert-butyl N-[1-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14391167
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415
N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42904742
phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
CID 126004333

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid (CID 166801916) is 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid?
The InChIKey is AIHPKSUWOSQACS-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H25N3O5/c36-29-25-18-24(15-16-27(25)33-19-26(29)32(39)40)34-31(38)28(17-20-7-3-1-4-8-20)35-30(37)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-16,18-19,28H,17H2,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t28-/m0/s1.
What are the key properties of 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid?
4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid has a molecular weight of 531.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 166801916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).