2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile

C13H10N2O2 — CID 130303541

IUPAC2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCC=O)c2c1
InChIInChI=1S/C13H10N2O2/c14-9-10-2-3-11-4-5-13(17)15(6-1-7-16)12(11)8-10/h2-5,7-8H,1,6H2
InChIKeyKUFPDXHPBPYRPK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.46
Rot. Bonds3

About 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile

2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile (PubChem CID 130303541) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
PubChem CID130303541
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCC=O)c2c1
InChIInChI=1S/C13H10N2O2/c14-9-10-2-3-11-4-5-13(17)15(6-1-7-16)12(11)8-10/h2-5,7-8H,1,6H2
InChIKeyKUFPDXHPBPYRPK-UHFFFAOYSA-N
XLogP1.46
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile?
The IUPAC name of 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile (CID 130303541) is 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile.
What is the SMILES notation for 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile?
The canonical SMILES for 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile is N#Cc1ccc2ccc(=O)n(CCC=O)c2c1.
What is the InChIKey of 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile?
The InChIKey is KUFPDXHPBPYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-9-10-2-3-11-4-5-13(17)15(6-1-7-16)12(11)8-10/h2-5,7-8H,1,6H2.
What are the key properties of 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile?
2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile is sourced from PubChem (CID 130303541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).