1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one

C17H14FNO3 — CID 110635603

IUPAC1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCC2=O
InChIInChI=1S/C17H14FNO3/c1-22-13-6-7-14-15(10-13)19(9-8-16(14)20)17(21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyHTZRQROGRZPZBX-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one

1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635603) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635603
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCC2=O
InChIInChI=1S/C17H14FNO3/c1-22-13-6-7-14-15(10-13)19(9-8-16(14)20)17(21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyHTZRQROGRZPZBX-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635632
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one (CID 110635603) is 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCC2=O.
What is the InChIKey of 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is HTZRQROGRZPZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-22-13-6-7-14-15(10-13)19(9-8-16(14)20)17(21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one?
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 299.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).