8-nitroquinoline-7-carbaldehyde

C10H6N2O3 — CID 11769554

IUPAC8-nitroquinoline-7-carbaldehyde
SMILESO=Cc1ccc2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3/c13-6-8-4-3-7-2-1-5-11-9(7)10(8)12(14)15/h1-6H
InChIKeyCGYVBVWBGRTQJQ-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.96
Rot. Bonds2

About 8-nitroquinoline-7-carbaldehyde

8-nitroquinoline-7-carbaldehyde (PubChem CID 11769554) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 8-nitroquinoline-7-carbaldehyde.

Molecular Properties

Compound Name8-nitroquinoline-7-carbaldehyde
PubChem CID11769554
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name8-nitroquinoline-7-carbaldehyde
SMILESO=Cc1ccc2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3/c13-6-8-4-3-7-2-1-5-11-9(7)10(8)12(14)15/h1-6H
InChIKeyCGYVBVWBGRTQJQ-UHFFFAOYSA-N
XLogP1.96
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-nitroquinoline-7-carbaldehyde?
The IUPAC name of 8-nitroquinoline-7-carbaldehyde (CID 11769554) is 8-nitroquinoline-7-carbaldehyde.
What is the SMILES notation for 8-nitroquinoline-7-carbaldehyde?
The canonical SMILES for 8-nitroquinoline-7-carbaldehyde is O=Cc1ccc2cccnc2c1[N+](=O)[O-].
What is the InChIKey of 8-nitroquinoline-7-carbaldehyde?
The InChIKey is CGYVBVWBGRTQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-6-8-4-3-7-2-1-5-11-9(7)10(8)12(14)15/h1-6H.
What are the key properties of 8-nitroquinoline-7-carbaldehyde?
8-nitroquinoline-7-carbaldehyde has a molecular weight of 202.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroquinoline-7-carbaldehyde is sourced from PubChem (CID 11769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).