1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one

C21H23NO3 — CID 110635373

IUPAC1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCCc1ccc(CCC(=O)N2CCC(=O)c3cccc(OC)c32)cc1
InChIInChI=1S/C21H23NO3/c1-3-15-7-9-16(10-8-15)11-12-20(24)22-14-13-18(23)17-5-4-6-19(25-2)21(17)22/h4-10H,3,11-14H2,1-2H3
InChIKeySECRCEMJXQIYGM-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one

1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635373) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635373
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCCc1ccc(CCC(=O)N2CCC(=O)c3cccc(OC)c32)cc1
InChIInChI=1S/C21H23NO3/c1-3-15-7-9-16(10-8-15)11-12-20(24)22-14-13-18(23)17-5-4-6-19(25-2)21(17)22/h4-10H,3,11-14H2,1-2H3
InChIKeySECRCEMJXQIYGM-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-1-(morpholine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 110406848
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358
1-[2-(2-methoxyphenoxy)acetyl]-8-methyl-2,3-dihydroquinolin-4-one
CID 110635495
8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
CID 110635326
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635377
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
CID 112536079
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635373) is 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one is CCc1ccc(CCC(=O)N2CCC(=O)c3cccc(OC)c32)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is SECRCEMJXQIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-15-7-9-16(10-8-15)11-12-20(24)22-14-13-18(23)17-5-4-6-19(25-2)21(17)22/h4-10H,3,11-14H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one?
1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).