6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one

C25H19F2NO3 — CID 2134982

IUPAC6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C25H19F2NO3/c1-15-7-9-16(10-8-15)24(29)20-14-28(13-17-5-3-4-6-22(17)31-2)23-19(25(20)30)11-18(26)12-21(23)27/h3-12,14H,13H2,1-2H3
InChIKeyHGWNURVBUJUUHB-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.88
Rot. Bonds5

About 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one

6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (PubChem CID 2134982) has the molecular formula C25H19F2NO3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
PubChem CID2134982
Molecular FormulaC25H19F2NO3
Molecular Weight419.43 g/mol
Exact Mass419.13
IUPAC Name6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C25H19F2NO3/c1-15-7-9-16(10-8-15)24(29)20-14-28(13-17-5-3-4-6-22(17)31-2)23-19(25(20)30)11-18(26)12-21(23)27/h3-12,14H,13H2,1-2H3
InChIKeyHGWNURVBUJUUHB-UHFFFAOYSA-N
XLogP4.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-ethoxybenzoyl)-6,8-difluoroquinolin-4-one
CID 2134967
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6,7-dimethoxy-3-(4-methylbenzoyl)quinolin-4-one
CID 53318050
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[(2-methoxyphenyl)methyl]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108583888

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The IUPAC name of 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (CID 2134982) is 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The canonical SMILES for 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)cc(F)c21.
What is the InChIKey of 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The InChIKey is HGWNURVBUJUUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO3/c1-15-7-9-16(10-8-15)24(29)20-14-28(13-17-5-3-4-6-22(17)31-2)23-19(25(20)30)11-18(26)12-21(23)27/h3-12,14H,13H2,1-2H3.
What are the key properties of 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one has a molecular weight of 419.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is sourced from PubChem (CID 2134982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).