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

C18H15NO5 — CID 71770165

IUPAC8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)c(OC)c1
InChIInChI=1S/C18H15NO5/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/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyYEMSCCRYMCXBLL-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.94
Rot. Bonds3

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

8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 71770165) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID71770165
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)c(OC)c1
InChIInChI=1S/C18H15NO5/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/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyYEMSCCRYMCXBLL-UHFFFAOYSA-N
XLogP2.94
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3,4,5-trimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3745250
8-(4-hydroxy-3,5-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2997123
6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one
CID 46949030
(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 11544661
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 56645737
6,7,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 42618032
8-(3,4,5-trimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 3158408
4-tert-butyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
CID 847771
9-(7-Methoxy-1,3-benzodioxol-5-yl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 42648316
10-Methoxy-8-(7-methoxy-1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 57392109
10-Methoxy-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 57397412

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 71770165) is 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1ccc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is YEMSCCRYMCXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/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/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2,4-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 325.32 g/mol, XLogP of 2.94, 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)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 71770165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).