6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde

C11H7NO4 — CID 3145231

IUPAC6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
SMILESO=Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14)
InChIKeyJHECNOLILDQPIP-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.07
Rot. Bonds1

About 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde

6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde (PubChem CID 3145231) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
PubChem CID3145231
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
SMILESO=Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14)
InChIKeyJHECNOLILDQPIP-UHFFFAOYSA-N
XLogP1.07
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide
CID 135651698
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 22605383
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
CID 10822981
7-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 135651238
7-[bis(1H-indol-3-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 154709539
6-fluoro-1,3-benzodioxole-5-carbaldehyde
CID 14384443
6-ethenyl-1,3-benzodioxole-5-carbaldehyde
CID 11159619
6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
CID 4067102
7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 10172267

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The IUPAC name of 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde (CID 3145231) is 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde.
What is the SMILES notation for 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The canonical SMILES for 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde is O=Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
The InChIKey is JHECNOLILDQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14).
What are the key properties of 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde?
6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde has a molecular weight of 217.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde is sourced from PubChem (CID 3145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).