6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C14H18N2O2 — CID 116859940

IUPAC6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C(c1ccc2c(c1)CCC(=O)N2)N(C)C
InChIInChI=1S/C14H18N2O2/c1-9(17)14(16(2)3)11-4-6-12-10(8-11)5-7-13(18)15-12/h4,6,8,14H,5,7H2,1-3H3,(H,15,18)
InChIKeyUTZKZOYGHDTNLY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds3

About 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116859940) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID116859940
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C(c1ccc2c(c1)CCC(=O)N2)N(C)C
InChIInChI=1S/C14H18N2O2/c1-9(17)14(16(2)3)11-4-6-12-10(8-11)5-7-13(18)15-12/h4,6,8,14H,5,7H2,1-3H3,(H,15,18)
InChIKeyUTZKZOYGHDTNLY-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 22800817
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
S-[3,4-dihydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butyl] ethanethioate
CID 171876672
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729

Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 116859940) is 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is CC(=O)C(c1ccc2c(c1)CCC(=O)N2)N(C)C.
What is the InChIKey of 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UTZKZOYGHDTNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(17)14(16(2)3)11-4-6-12-10(8-11)5-7-13(18)15-12/h4,6,8,14H,5,7H2,1-3H3,(H,15,18).
What are the key properties of 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116859940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).