6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one

C26H23NO5 — CID 20864686

IUPAC6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C26H23NO5/c1-30-19-8-4-17(5-9-19)15-27-16-23(25(28)18-6-10-20(31-2)11-7-18)26(29)22-14-21(32-3)12-13-24(22)27/h4-14,16H,15H2,1-3H3
InChIKeyGWAKPNQBDGUKGM-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.31
Rot. Bonds7

About 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one

6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one (PubChem CID 20864686) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
PubChem CID20864686
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C26H23NO5/c1-30-19-8-4-17(5-9-19)15-27-16-23(25(28)18-6-10-20(31-2)11-7-18)26(29)22-14-21(32-3)12-13-24(22)27/h4-14,16H,15H2,1-3H3
InChIKeyGWAKPNQBDGUKGM-UHFFFAOYSA-N
XLogP4.31
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
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
3-(4-ethylbenzoyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2136854
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
CID 145438430
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660
(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The IUPAC name of 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one (CID 20864686) is 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The canonical SMILES for 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one is COc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(OC)ccc32)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The InChIKey is GWAKPNQBDGUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-30-19-8-4-17(5-9-19)15-27-16-23(25(28)18-6-10-20(31-2)11-7-18)26(29)22-14-21(32-3)12-13-24(22)27/h4-14,16H,15H2,1-3H3.
What are the key properties of 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one has a molecular weight of 429.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 20864686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).