1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one

C26H22FNO5 — CID 20864617

IUPAC1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
SMILESCOc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C26H22FNO5/c1-31-19-10-6-17(7-11-19)25(29)21-15-28(14-16-4-8-18(27)9-5-16)22-13-24(33-3)23(32-2)12-20(22)26(21)30/h4-13,15H,14H2,1-3H3
InChIKeyPFTMCHVPEJMHMG-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.45
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one

1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one (PubChem CID 20864617) has the molecular formula C26H22FNO5 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
PubChem CID20864617
Molecular FormulaC26H22FNO5
Molecular Weight447.46 g/mol
Exact Mass447.15
IUPAC Name1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
SMILESCOc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C26H22FNO5/c1-31-19-10-6-17(7-11-19)25(29)21-15-28(14-16-4-8-18(27)9-5-16)22-13-24(33-3)23(32-2)12-20(22)26(21)30/h4-13,15H,14H2,1-3H3
InChIKeyPFTMCHVPEJMHMG-UHFFFAOYSA-N
XLogP4.45
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
3-(4-ethylbenzoyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2136854
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one (CID 20864617) is 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one is COc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one?
The InChIKey is PFTMCHVPEJMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO5/c1-31-19-10-6-17(7-11-19)25(29)21-15-28(14-16-4-8-18(27)9-5-16)22-13-24(33-3)23(32-2)12-20(22)26(21)30/h4-13,15H,14H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one?
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one has a molecular weight of 447.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one is sourced from PubChem (CID 20864617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).