6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one

C17H23NO2 — CID 82984767

IUPAC6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(CCC)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H23NO2/c1-3-5-12(6-4-2)17(20)14-7-9-15-13(11-14)8-10-16(19)18-15/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyIGMGJUVDJPCAJF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds6

About 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82984767) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82984767
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(CCC)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H23NO2/c1-3-5-12(6-4-2)17(20)14-7-9-15-13(11-14)8-10-16(19)18-15/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyIGMGJUVDJPCAJF-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-propylpentanoyl)-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

7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82983985
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712434
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356

Frequently Asked Questions

What is the IUPAC name of 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 82984767) is 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one is CCCC(CCC)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IGMGJUVDJPCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-12(6-4-2)17(20)14-7-9-15-13(11-14)8-10-16(19)18-15/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82984767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).