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

C26H23NO4 — CID 2136065

IUPAC6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1
InChIInChI=1S/C26H23NO4/c1-17-7-9-19(10-8-17)25(28)23-16-27(15-18-5-4-6-20(13-18)30-2)24-12-11-21(31-3)14-22(24)26(23)29/h4-14,16H,15H2,1-3H3
InChIKeyBNMNLQVJFVABEV-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.61
Rot. Bonds6

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

6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (PubChem CID 2136065) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
PubChem CID2136065
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1
InChIInChI=1S/C26H23NO4/c1-17-7-9-19(10-8-17)25(28)23-16-27(15-18-5-4-6-20(13-18)30-2)24-12-11-21(31-3)14-22(24)26(23)29/h4-14,16H,15H2,1-3H3
InChIKeyBNMNLQVJFVABEV-UHFFFAOYSA-N
XLogP4.61
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
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-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
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
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825378

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The IUPAC name of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one (CID 2136065) is 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one.
What is the SMILES notation for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The canonical SMILES for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1.
What is the InChIKey of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
The InChIKey is BNMNLQVJFVABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-17-7-9-19(10-8-17)25(28)23-16-27(15-18-5-4-6-20(13-18)30-2)24-12-11-21(31-3)14-22(24)26(23)29/h4-14,16H,15H2,1-3H3.
What are the key properties of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one?
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one has a molecular weight of 413.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one is sourced from PubChem (CID 2136065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).