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

C19H19NO2 — CID 110634848

IUPAC6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)CCc1ccccc1
InChIInChI=1S/C19H19NO2/c1-14-7-9-17-16(13-14)18(21)11-12-20(17)19(22)10-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3
InChIKeyNFVQOCUVOFQEPJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.55
Rot. Bonds3

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

6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110634848) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
PubChem CID110634848
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)CCc1ccccc1
InChIInChI=1S/C19H19NO2/c1-14-7-9-17-16(13-14)18(21)11-12-20(17)19(22)10-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3
InChIKeyNFVQOCUVOFQEPJ-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.55
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
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (CID 110634848) is 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is Cc1ccc2c(c1)C(=O)CCN2C(=O)CCc1ccccc1.
What is the InChIKey of 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is NFVQOCUVOFQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-7-9-17-16(13-14)18(21)11-12-20(17)19(22)10-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3.
What are the key properties of 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).