6-nitrosoquinoline-7-carbaldehyde

C10H6N2O2 — CID 142887262

IUPAC6-nitrosoquinoline-7-carbaldehyde
SMILESO=Cc1cc2ncccc2cc1N=O
InChIInChI=1S/C10H6N2O2/c13-6-8-5-9-7(2-1-3-11-9)4-10(8)12-14/h1-6H
InChIKeyPLQJRRNJKMKXPH-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.45
Rot. Bonds2

About 6-nitrosoquinoline-7-carbaldehyde

6-nitrosoquinoline-7-carbaldehyde (PubChem CID 142887262) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 6-nitrosoquinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-nitrosoquinoline-7-carbaldehyde
PubChem CID142887262
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name6-nitrosoquinoline-7-carbaldehyde
SMILESO=Cc1cc2ncccc2cc1N=O
InChIInChI=1S/C10H6N2O2/c13-6-8-5-9-7(2-1-3-11-9)4-10(8)12-14/h1-6H
InChIKeyPLQJRRNJKMKXPH-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-nitrosoquinolin-7-yl)prop-2-enoic acid
CID 142887367
quinoline-6,8-dicarbaldehyde
CID 119087265
quinolin-6-yl formate
CID 57289431
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352
2-nitroso-4-phenylbenzaldehyde
CID 174907087
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
6-(1-nitrosoethyl)quinoline
CID 54028651
2-quinolin-7-ylacetaldehyde
CID 22630864
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
8-(3,5-difluorophenyl)quinoline-7-carbaldehyde
CID 86709597
7-[(7H-cyclohepta[b]pyridin-6-ylamino)methyl]-3-nitrosonaphthalene-2-carbaldehyde
CID 143165745

Frequently Asked Questions

What is the IUPAC name of 6-nitrosoquinoline-7-carbaldehyde?
The IUPAC name of 6-nitrosoquinoline-7-carbaldehyde (CID 142887262) is 6-nitrosoquinoline-7-carbaldehyde.
What is the SMILES notation for 6-nitrosoquinoline-7-carbaldehyde?
The canonical SMILES for 6-nitrosoquinoline-7-carbaldehyde is O=Cc1cc2ncccc2cc1N=O.
What is the InChIKey of 6-nitrosoquinoline-7-carbaldehyde?
The InChIKey is PLQJRRNJKMKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-6-8-5-9-7(2-1-3-11-9)4-10(8)12-14/h1-6H.
What are the key properties of 6-nitrosoquinoline-7-carbaldehyde?
6-nitrosoquinoline-7-carbaldehyde has a molecular weight of 186.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrosoquinoline-7-carbaldehyde is sourced from PubChem (CID 142887262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).