3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

C13H17N3O2 — CID 60837196

IUPAC3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(14)6-13(18)15-10-3-4-11-9(7-10)2-5-12(17)16-11/h3-4,7-8H,2,5-6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyPKKLXFSNFDMUAV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (PubChem CID 60837196) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
PubChem CID60837196
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(14)6-13(18)15-10-3-4-11-9(7-10)2-5-12(17)16-11/h3-4,7-8H,2,5-6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyPKKLXFSNFDMUAV-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The IUPAC name of 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (CID 60837196) is 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.
What is the SMILES notation for 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The canonical SMILES for 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is CC(N)CC(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The InChIKey is PKKLXFSNFDMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)6-13(18)15-10-3-4-11-9(7-10)2-5-12(17)16-11/h3-4,7-8H,2,5-6,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is sourced from PubChem (CID 60837196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).