1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

C19H18FNO2 — CID 134103977

IUPAC1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCCc1ccc(C(=O)N2c3ccc(F)cc3C(=O)CC2C)cc1
InChIInChI=1S/C19H18FNO2/c1-3-13-4-6-14(7-5-13)19(23)21-12(2)10-18(22)16-11-15(20)8-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyHAFALBWFOAYTQD-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.01
Rot. Bonds2

About 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (PubChem CID 134103977) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
PubChem CID134103977
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCCc1ccc(C(=O)N2c3ccc(F)cc3C(=O)CC2C)cc1
InChIInChI=1S/C19H18FNO2/c1-3-13-4-6-14(7-5-13)19(23)21-12(2)10-18(22)16-11-15(20)8-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyHAFALBWFOAYTQD-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134106081
1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
1-acetyl-2-methyl-4-oxo-2,3-dihydroquinoline-6-carboxylic acid
CID 90293354
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
ethane;2-methyl-1-(4-phenoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 142989768
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738
6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134125542
6-fluoro-1-(3-fluoro-4-nitrobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134101831

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (CID 134103977) is 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is CCc1ccc(C(=O)N2c3ccc(F)cc3C(=O)CC2C)cc1.
What is the InChIKey of 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is HAFALBWFOAYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-3-13-4-6-14(7-5-13)19(23)21-12(2)10-18(22)16-11-15(20)8-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 311.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134103977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).