1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one

C16H21NO2 — CID 110634824

IUPAC1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCCC(CC)C(=O)N1CCC(=O)c2cc(C)ccc21
InChIInChI=1S/C16H21NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCUMFTLPNRMOBFH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one

1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110634824) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
PubChem CID110634824
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCCC(CC)C(=O)N1CCC(=O)c2cc(C)ccc21
InChIInChI=1S/C16H21NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCUMFTLPNRMOBFH-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636173
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102
N,N-diethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635106
1-[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82260508

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one (CID 110634824) is 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one is CCC(CC)C(=O)N1CCC(=O)c2cc(C)ccc21.
What is the InChIKey of 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is CUMFTLPNRMOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-12(5-2)16(19)17-9-8-15(18)13-10-11(3)6-7-14(13)17/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one?
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).