1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one

C17H14ClNO3 — CID 110635357

IUPAC1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1cccc(Cl)c1)CCC2=O
InChIInChI=1S/C17H14ClNO3/c1-22-15-7-3-6-13-14(20)8-9-19(16(13)15)17(21)11-4-2-5-12(18)10-11/h2-7,10H,8-9H2,1H3
InChIKeyYCSCGJHJXJGVSS-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.58
Rot. Bonds2

About 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one

1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635357) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635357
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1cccc(Cl)c1)CCC2=O
InChIInChI=1S/C17H14ClNO3/c1-22-15-7-3-6-13-14(20)8-9-19(16(13)15)17(21)11-4-2-5-12(18)10-11/h2-7,10H,8-9H2,1H3
InChIKeyYCSCGJHJXJGVSS-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
CID 110635326
8-methoxy-1-(morpholine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 110406848
1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635370
1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635373
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110635496
8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635377
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
1-[2-(2-methoxyphenoxy)acetyl]-8-methyl-2,3-dihydroquinolin-4-one
CID 110635495
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635357) is 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(C(=O)c1cccc(Cl)c1)CCC2=O.
What is the InChIKey of 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is YCSCGJHJXJGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-22-15-7-3-6-13-14(20)8-9-19(16(13)15)17(21)11-4-2-5-12(18)10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 315.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).