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

C14H19N3O2 — CID 80542372

IUPAC4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCC(CCN)C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(6-7-15)14(19)16-11-3-4-12-10(8-11)2-5-13(18)17-12/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVKZAGFXXAKLISJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds4

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

4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (PubChem CID 80542372) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
PubChem CID80542372
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCC(CCN)C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-9(6-7-15)14(19)16-11-3-4-12-10(8-11)2-5-13(18)17-12/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVKZAGFXXAKLISJ-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
(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
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708965
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
(2R)-2-[ethyl(methyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 95325616
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
CID 120922186

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (CID 80542372) is 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is CC(CCN)C(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The InChIKey is VKZAGFXXAKLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(6-7-15)14(19)16-11-3-4-12-10(8-11)2-5-13(18)17-12/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is sourced from PubChem (CID 80542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).