8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C18H17NO5 — CID 2964925

IUPAC8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1
InChIInChI=1S/C18H17NO5/c1-21-10-3-4-11(15(5-10)22-2)12-7-18(20)19-14-8-17-16(6-13(12)14)23-9-24-17/h3-6,8,12H,7,9H2,1-2H3,(H,19,20)
InChIKeyKMMYYEGQQSGQJB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.91
Rot. Bonds3

About 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 2964925) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID2964925
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1
InChIInChI=1S/C18H17NO5/c1-21-10-3-4-11(15(5-10)22-2)12-7-18(20)19-14-8-17-16(6-13(12)14)23-9-24-17/h3-6,8,12H,7,9H2,1-2H3,(H,19,20)
InChIKeyKMMYYEGQQSGQJB-UHFFFAOYSA-N
XLogP2.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 2964925) is 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is KMMYYEGQQSGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-21-10-3-4-11(15(5-10)22-2)12-7-18(20)19-14-8-17-16(6-13(12)14)23-9-24-17/h3-6,8,12H,7,9H2,1-2H3,(H,19,20).
What are the key properties of 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 327.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 2964925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).