6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one

C27H25NO4 — CID 2136839

IUPAC6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCOc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25NO4/c1-17-5-9-19(10-6-17)15-28-16-22(26(29)20-11-7-18(2)8-12-20)27(30)21-13-24(31-3)25(32-4)14-23(21)28/h5-14,16H,15H2,1-4H3
InChIKeyNWYQERKQGROXTA-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.91
Rot. Bonds6

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

6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one (PubChem CID 2136839) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
PubChem CID2136839
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCOc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25NO4/c1-17-5-9-19(10-6-17)15-28-16-22(26(29)20-11-7-18(2)8-12-20)27(30)21-13-24(31-3)25(32-4)14-23(21)28/h5-14,16H,15H2,1-4H3
InChIKeyNWYQERKQGROXTA-UHFFFAOYSA-N
XLogP4.91
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(4-ethylbenzoyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2136854
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6,7-dimethoxy-3-(4-methylbenzoyl)quinolin-4-one
CID 53318050
ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864589
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
3-[6-(dimethylamino)pyridine-3-carbonyl]-6,7-dimethoxy-1-[(4-methylperoxysulfanylphenyl)methyl]quinolin-4-one
CID 58810162
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one (CID 2136839) is 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one is COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one?
The InChIKey is NWYQERKQGROXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17-5-9-19(10-6-17)15-28-16-22(26(29)20-11-7-18(2)8-12-20)27(30)21-13-24(31-3)25(32-4)14-23(21)28/h5-14,16H,15H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one?
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one has a molecular weight of 427.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).