7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

C25H18ClNO5 — CID 2136298

IUPAC7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C25H18ClNO5/c1-30-18-8-2-15(3-9-18)12-27-13-20(24(28)16-4-6-17(26)7-5-16)25(29)19-10-22-23(11-21(19)27)32-14-31-22/h2-11,13H,12,14H2,1H3
InChIKeyCXWWUFKVRPGTHW-UHFFFAOYSA-N
MW447.87 g/mol
LogP4.67
Rot. Bonds5

About 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 2136298) has the molecular formula C25H18ClNO5 and a molecular weight of 447.87 g/mol. Its IUPAC name is 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID2136298
Molecular FormulaC25H18ClNO5
Molecular Weight447.87 g/mol
Exact Mass447.09
IUPAC Name7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C25H18ClNO5/c1-30-18-8-2-15(3-9-18)12-27-13-20(24(28)16-4-6-17(26)7-5-16)25(29)19-10-22-23(11-21(19)27)32-14-31-22/h2-11,13H,12,14H2,1H3
InChIKeyCXWWUFKVRPGTHW-UHFFFAOYSA-N
XLogP4.67
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 2136298) is 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is COc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is CXWWUFKVRPGTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO5/c1-30-18-8-2-15(3-9-18)12-27-13-20(24(28)16-4-6-17(26)7-5-16)25(29)19-10-22-23(11-21(19)27)32-14-31-22/h2-11,13H,12,14H2,1H3.
What are the key properties of 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 447.87 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobenzoyl)-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 2136298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).