1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one

C18H17NO3 — CID 110424740

IUPAC1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(CC(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H17NO3/c1-22-14-8-6-13(7-9-14)12-18(21)19-11-10-17(20)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3
InChIKeyRLTJFVUVUHWZPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.86
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one

1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one (PubChem CID 110424740) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
PubChem CID110424740
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(CC(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H17NO3/c1-22-14-8-6-13(7-9-14)12-18(21)19-11-10-17(20)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3
InChIKeyRLTJFVUVUHWZPB-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635632
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methoxyphenyl)ethanone
CID 744395
4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713507
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one (CID 110424740) is 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one is COc1ccc(CC(=O)N2CCC(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one?
The InChIKey is RLTJFVUVUHWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-14-8-6-13(7-9-14)12-18(21)19-11-10-17(20)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one?
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110424740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).