6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

C27H23NO5 — CID 2136288

IUPAC6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C27H23NO5/c1-17-7-9-18(10-8-17)26(29)21-16-28(15-19-5-3-4-6-23(19)31-2)22-14-25-24(32-11-12-33-25)13-20(22)27(21)30/h3-10,13-14,16H,11-12,15H2,1-2H3
InChIKeyZNNRCNVEWIOMNY-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.37
Rot. Bonds5

About 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2136288) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2136288
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C27H23NO5/c1-17-7-9-18(10-8-17)26(29)21-16-28(15-19-5-3-4-6-23(19)31-2)22-14-25-24(32-11-12-33-25)13-20(22)27(21)30/h3-10,13-14,16H,11-12,15H2,1-2H3
InChIKeyZNNRCNVEWIOMNY-UHFFFAOYSA-N
XLogP4.37
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one with MolForge

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Related Compounds

Decoquinate
CID 29112
Buquinolate
CID 21651
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
Proquinolate
CID 15547
N-(7-(4-Methylbenzoyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 1252935
(7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(p-tolyl)methanone
CID 715369
2-fluoro-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1510062
3-(3,4-Dimethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2141188
N-(7-Benzoyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 787512
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 5308052
ethyl 6,7-dibutoxy-4-oxo-1H-quinoline-3-carboxylate
CID 13758045
1-(2-Fluoro-4-trifluoromethyl-benzyl)-6,7-dimethoxy-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 53318050

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2136288) is 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc3c(cc21)OCCO3.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is ZNNRCNVEWIOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5/c1-17-7-9-18(10-8-17)26(29)21-16-28(15-19-5-3-4-6-23(19)31-2)22-14-25-24(32-11-12-33-25)13-20(22)27(21)30/h3-10,13-14,16H,11-12,15H2,1-2H3.
What are the key properties of 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 441.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).