4-[methyl(quinolin-2-yl)amino]butanoic acid

C14H16N2O2 — CID 43329714

IUPAC4-[methyl(quinolin-2-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-16(10-4-7-14(17)18)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,18)
InChIKeyKLGHNQPYGKWAHA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.54
Rot. Bonds5

About 4-[methyl(quinolin-2-yl)amino]butanoic acid

4-[methyl(quinolin-2-yl)amino]butanoic acid (PubChem CID 43329714) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[methyl(quinolin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(quinolin-2-yl)amino]butanoic acid
PubChem CID43329714
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[methyl(quinolin-2-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-16(10-4-7-14(17)18)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,18)
InChIKeyKLGHNQPYGKWAHA-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid
CID 62374872
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
CID 83841566
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
CID 83835208
N-(2-cyclopropylethyl)-N-methylquinolin-2-amine
CID 133398513
8-[(5,6-diphenylpyrazin-2-yl)-methylamino]octanoic acid
CID 18452661
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
N-methyl-N-(2-pyrrolidin-1-ylethyl)quinolin-2-amine
CID 153322955
3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
CID 126842976
2-cyclopropyl-N-methyl-N-quinolin-2-ylacetamide
CID 155948887

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(quinolin-2-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl(quinolin-2-yl)amino]butanoic acid (CID 43329714) is 4-[methyl(quinolin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(quinolin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(quinolin-2-yl)amino]butanoic acid is CN(CCCC(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of 4-[methyl(quinolin-2-yl)amino]butanoic acid?
The InChIKey is KLGHNQPYGKWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(10-4-7-14(17)18)13-9-8-11-5-2-3-6-12(11)15-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(quinolin-2-yl)amino]butanoic acid?
4-[methyl(quinolin-2-yl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(quinolin-2-yl)amino]butanoic acid is sourced from PubChem (CID 43329714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).