4-oxo-1H-benzo[h]quinoline-3-carbonitrile

C14H8N2O — CID 24695119

IUPAC4-oxo-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(ccc3ccccc32)c1=O
InChIInChI=1S/C14H8N2O/c15-7-10-8-16-13-11-4-2-1-3-9(11)5-6-12(13)14(10)17/h1-6,8H,(H,16,17)
InChIKeyKPWRBJUSCLZHRZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.55
Rot. Bonds

About 4-oxo-1H-benzo[h]quinoline-3-carbonitrile

4-oxo-1H-benzo[h]quinoline-3-carbonitrile (PubChem CID 24695119) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-oxo-1H-benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-oxo-1H-benzo[h]quinoline-3-carbonitrile
PubChem CID24695119
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name4-oxo-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(ccc3ccccc32)c1=O
InChIInChI=1S/C14H8N2O/c15-7-10-8-16-13-11-4-2-1-3-9(11)5-6-12(13)14(10)17/h1-6,8H,(H,16,17)
InChIKeyKPWRBJUSCLZHRZ-UHFFFAOYSA-N
XLogP2.55
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-oxo-1H-benzo[h]quinoline-3-carbonitrile (CID 24695119) is 4-oxo-1H-benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-oxo-1H-benzo[h]quinoline-3-carbonitrile is N#Cc1c[nH]c2c(ccc3ccccc32)c1=O.
What is the InChIKey of 4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The InChIKey is KPWRBJUSCLZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-7-10-8-16-13-11-4-2-1-3-9(11)5-6-12(13)14(10)17/h1-6,8H,(H,16,17).
What are the key properties of 4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
4-oxo-1H-benzo[h]quinoline-3-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 24695119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).