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

C27H25NO5 — CID 2137061

IUPAC6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C27H25NO5/c1-17-8-10-19(11-9-17)26(29)22-16-28(15-18-6-5-7-20(12-18)31-2)23-14-25(33-4)24(32-3)13-21(23)27(22)30/h5-14,16H,15H2,1-4H3
InChIKeyPKMWQMSAGNEZLQ-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.62
Rot. Bonds7

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

6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (PubChem CID 2137061) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
PubChem CID2137061
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C27H25NO5/c1-17-8-10-19(11-9-17)26(29)22-16-28(15-18-6-5-7-20(12-18)31-2)23-14-25(33-4)24(32-3)13-21(23)27(22)30/h5-14,16H,15H2,1-4H3
InChIKeyPKMWQMSAGNEZLQ-UHFFFAOYSA-N
XLogP4.62
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylbenzoyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2136854
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 2140958
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6,7-dimethoxy-3-(4-methylbenzoyl)quinolin-4-one
CID 53318050
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (CID 2137061) is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The InChIKey is PKMWQMSAGNEZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-17-8-10-19(11-9-17)26(29)22-16-28(15-18-6-5-7-20(12-18)31-2)23-14-25(33-4)24(32-3)13-21(23)27(22)30/h5-14,16H,15H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one has a molecular weight of 443.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is sourced from PubChem (CID 2137061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).