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

C17H13F2NO3 — CID 110406834

IUPAC1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(F)c(F)c1)CCC2=O
InChIInChI=1S/C17H13F2NO3/c1-23-15-4-2-3-11-14(21)7-8-20(16(11)15)17(22)10-5-6-12(18)13(19)9-10/h2-6,9H,7-8H2,1H3
InChIKeyNXNVMKNXNBOOLJ-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.21
Rot. Bonds2

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

1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110406834) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110406834
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(F)c(F)c1)CCC2=O
InChIInChI=1S/C17H13F2NO3/c1-23-15-4-2-3-11-14(21)7-8-20(16(11)15)17(22)10-5-6-12(18)13(19)9-10/h2-6,9H,7-8H2,1H3
InChIKeyNXNVMKNXNBOOLJ-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.21
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-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
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
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-[3-(4-ethylphenyl)propanoyl]-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635373
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110635496

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one (CID 110406834) is 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(C(=O)c1ccc(F)c(F)c1)CCC2=O.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is NXNVMKNXNBOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-23-15-4-2-3-11-14(21)7-8-20(16(11)15)17(22)10-5-6-12(18)13(19)9-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one?
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 317.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).