5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C18H13NO6 — CID 70481800

IUPAC5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H13NO6/c1-23-11-4-2-10(3-5-11)19-8-13(18(21)22)17(20)12-6-15-16(7-14(12)19)25-9-24-15/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZIVRWYNUCZNRHY-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.43
Rot. Bonds3

About 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 70481800) has the molecular formula C18H13NO6 and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID70481800
Molecular FormulaC18H13NO6
Molecular Weight339.30 g/mol
Exact Mass339.07
IUPAC Name5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H13NO6/c1-23-11-4-2-10(3-5-11)19-8-13(18(21)22)17(20)12-6-15-16(7-14(12)19)25-9-24-15/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZIVRWYNUCZNRHY-UHFFFAOYSA-N
XLogP2.43
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70507084
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
6-fluoro-1-(4-methoxyphenyl)-7-(2-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 70388110
8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 155609725
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
1-[3-(dimethylcarbamoyloxy)-5-methoxyphenyl]-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 139963956
6-fluoro-1-(4-fluorophenyl)-7-[3-[(4-methoxyphenyl)methylideneamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14230019
7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 15318766
5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one
CID 11035465
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 70481800) is 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is COc1ccc(-n2cc(C(=O)O)c(=O)c3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is ZIVRWYNUCZNRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO6/c1-23-11-4-2-10(3-5-11)19-8-13(18(21)22)17(20)12-6-15-16(7-14(12)19)25-9-24-15/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 339.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 70481800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).