3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid

C24H27N3O3 — CID 71243807

IUPAC3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid
SMILESCC(C)CC(Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)13-22(27-20-14-19-5-3-4-6-21(19)26-15-20)17-7-9-18(10-8-17)24(30)25-12-11-23(28)29/h3-10,14-16,22,27H,11-13H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyCUAFDXZIZFDULP-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.64
Rot. Bonds9

About 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid

3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid (PubChem CID 71243807) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid
PubChem CID71243807
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid
SMILESCC(C)CC(Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)13-22(27-20-14-19-5-3-4-6-21(19)26-15-20)17-7-9-18(10-8-17)24(30)25-12-11-23(28)29/h3-10,14-16,22,27H,11-13H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyCUAFDXZIZFDULP-UHFFFAOYSA-N
XLogP4.64
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic 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

3-[[4-[(1S)-3-methyl-1-[(2-methylquinolin-3-yl)amino]butyl]benzoyl]amino]propanoic acid
CID 71496439
3-[[5-[[(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoic acid
CID 57388937
3-[[6-[[3-methyl-1-(4-pyridin-3-ylphenyl)butyl]amino]pyridine-3-carbonyl]amino]propanoic acid
CID 57389522
3-[[6-[[1-[4-(4-chlorophenyl)phenyl]-3-methylbutyl]amino]pyridine-3-carbonyl]amino]propanoic acid
CID 57389684
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
3-[[4-[[1-[5-(2-chloro-4-pyridinyl)-2-methylfuran-3-yl]-3-methylbutyl]amino]benzoyl]amino]propanoic acid
CID 59529586
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 146250309
3-[[4-[[(1R)-1-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pentyl]amino]benzoyl]amino]propanoic acid
CID 146236819
3-[[4-[[(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropyl]amino]benzoyl]amino]propanoic acid
CID 146236732
4-methyl-N-quinolin-3-ylbenzamide
CID 974969

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid (CID 71243807) is 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid is CC(C)CC(Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid?
The InChIKey is CUAFDXZIZFDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(2)13-22(27-20-14-19-5-3-4-6-21(19)26-15-20)17-7-9-18(10-8-17)24(30)25-12-11-23(28)29/h3-10,14-16,22,27H,11-13H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid?
3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid has a molecular weight of 405.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-methyl-1-(quinolin-3-ylamino)butyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 71243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).