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

C16H20N2O2 — CID 122059531

IUPAC3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
SMILESCCCc1cc(N(C)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-6-12-11-15(18(2)10-9-16(19)20)13-7-4-5-8-14(13)17-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyLAPTXWYDGONJMC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds6

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

3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid (PubChem CID 122059531) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
PubChem CID122059531
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
SMILESCCCc1cc(N(C)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-6-12-11-15(18(2)10-9-16(19)20)13-7-4-5-8-14(13)17-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyLAPTXWYDGONJMC-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63373834
3-[methyl-[4-(methylamino)quinazolin-2-yl]amino]propanoic acid
CID 122059257
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid (CID 122059531) is 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid is CCCc1cc(N(C)CCC(=O)O)c2ccccc2n1.
What is the InChIKey of 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid?
The InChIKey is LAPTXWYDGONJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-6-12-11-15(18(2)10-9-16(19)20)13-7-4-5-8-14(13)17-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid?
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122059531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).