6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde

C15H11NO4 — CID 5142646

IUPAC6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde
SMILESCCn1c(=O)c2c(=O)c(C=O)coc2c2ccccc21
InChIInChI=1S/C15H11NO4/c1-2-16-11-6-4-3-5-10(11)14-12(15(16)19)13(18)9(7-17)8-20-14/h3-8H,2H2,1H3
InChIKeyWZRHCOHBPYIVSO-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds2

About 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde

6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde (PubChem CID 5142646) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde
PubChem CID5142646
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde
SMILESCCn1c(=O)c2c(=O)c(C=O)coc2c2ccccc21
InChIInChI=1S/C15H11NO4/c1-2-16-11-6-4-3-5-10(11)14-12(15(16)19)13(18)9(7-17)8-20-14/h3-8H,2H2,1H3
InChIKeyWZRHCOHBPYIVSO-UHFFFAOYSA-N
XLogP1.94
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-ethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511623
9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
2-oxo-1-propylquinoline-4-carbaldehyde
CID 88586782
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde
CID 146273634
1-ethyl-2-methylindole-4-carbaldehyde
CID 117204242
9-ethylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373637
6-ethyl-8-methyl-4-oxochromene-3-carbaldehyde
CID 139223326
5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
CID 12628421
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde?
The IUPAC name of 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde (CID 5142646) is 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde?
The canonical SMILES for 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde is CCn1c(=O)c2c(=O)c(C=O)coc2c2ccccc21.
What is the InChIKey of 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde?
The InChIKey is WZRHCOHBPYIVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-2-16-11-6-4-3-5-10(11)14-12(15(16)19)13(18)9(7-17)8-20-14/h3-8H,2H2,1H3.
What are the key properties of 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde?
6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde has a molecular weight of 269.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5-dioxopyrano[3,2-c]quinoline-3-carbaldehyde is sourced from PubChem (CID 5142646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).