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

C13H17N3O2 — CID 82498531

IUPAC3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCN(C(=O)CCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-16(13(18)6-7-14)10-3-4-11-9(8-10)2-5-12(17)15-11/h3-4,8H,2,5-7,14H2,1H3,(H,15,17)
InChIKeyPWCRHMURDIZGLQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds3

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

3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (PubChem CID 82498531) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
PubChem CID82498531
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCN(C(=O)CCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-16(13(18)6-7-14)10-3-4-11-9(8-10)2-5-12(17)15-11/h3-4,8H,2,5-7,14H2,1H3,(H,15,17)
InChIKeyPWCRHMURDIZGLQ-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025
6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 117040900
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (CID 82498531) is 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is CN(C(=O)CCN)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The InChIKey is PWCRHMURDIZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(13(18)6-7-14)10-3-4-11-9(8-10)2-5-12(17)15-11/h3-4,8H,2,5-7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 82498531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).