3-[(2-propylquinolin-4-yl)amino]propanoic acid

C15H18N2O2 — CID 122048260

IUPAC3-[(2-propylquinolin-4-yl)amino]propanoic acid
SMILESCCCc1cc(NCCC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-2-5-11-10-14(16-9-8-15(18)19)12-6-3-4-7-13(12)17-11/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVKXOBPHDIMHVOE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds6

About 3-[(2-propylquinolin-4-yl)amino]propanoic acid

3-[(2-propylquinolin-4-yl)amino]propanoic acid (PubChem CID 122048260) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(2-propylquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-propylquinolin-4-yl)amino]propanoic acid
PubChem CID122048260
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[(2-propylquinolin-4-yl)amino]propanoic acid
SMILESCCCc1cc(NCCC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-2-5-11-10-14(16-9-8-15(18)19)12-6-3-4-7-13(12)17-11/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVKXOBPHDIMHVOE-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133405225
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
N-(cyclopropylmethyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133441654
N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine
CID 167935119
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-(2-morpholin-4-ylsulfonylethyl)-2-propylquinolin-4-amine
CID 133405257
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
CID 110432724
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine
CID 133412585
N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
CID 166382392
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
CID 133402369
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-propylquinolin-4-yl)amino]propanoic acid (CID 122048260) is 3-[(2-propylquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-propylquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-propylquinolin-4-yl)amino]propanoic acid is CCCc1cc(NCCC(=O)O)c2ccccc2n1.
What is the InChIKey of 3-[(2-propylquinolin-4-yl)amino]propanoic acid?
The InChIKey is VKXOBPHDIMHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-5-11-10-14(16-9-8-15(18)19)12-6-3-4-7-13(12)17-11/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-propylquinolin-4-yl)amino]propanoic acid?
3-[(2-propylquinolin-4-yl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122048260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).