6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one

C17H14FNO2 — CID 63049807

IUPAC6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(F)cc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H14FNO2/c1-10-2-5-13(18)9-14(10)17(21)12-3-6-15-11(8-12)4-7-16(20)19-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20)
InChIKeyHPXNCQVGFTWLLZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.25
Rot. Bonds2

About 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one

6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63049807) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID63049807
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(F)cc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H14FNO2/c1-10-2-5-13(18)9-14(10)17(21)12-3-6-15-11(8-12)4-7-16(20)19-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20)
InChIKeyHPXNCQVGFTWLLZ-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457547
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid
CID 116822529

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one (CID 63049807) is 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(F)cc1C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HPXNCQVGFTWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-10-2-5-13(18)9-14(10)17(21)12-3-6-15-11(8-12)4-7-16(20)19-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20).
What are the key properties of 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63049807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).