7-methoxybenzo[g]quinoline-3-carbonitrile

C15H10N2O — CID 70112486

IUPAC7-methoxybenzo[g]quinoline-3-carbonitrile
SMILESCOc1ccc2cc3ncc(C#N)cc3cc2c1
InChIInChI=1S/C15H10N2O/c1-18-14-3-2-11-7-15-13(5-12(11)6-14)4-10(8-16)9-17-15/h2-7,9H,1H3
InChIKeyMPCLEXPKUYCWOA-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.27
Rot. Bonds1

About 7-methoxybenzo[g]quinoline-3-carbonitrile

7-methoxybenzo[g]quinoline-3-carbonitrile (PubChem CID 70112486) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-methoxybenzo[g]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxybenzo[g]quinoline-3-carbonitrile
PubChem CID70112486
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name7-methoxybenzo[g]quinoline-3-carbonitrile
SMILESCOc1ccc2cc3ncc(C#N)cc3cc2c1
InChIInChI=1S/C15H10N2O/c1-18-14-3-2-11-7-15-13(5-12(11)6-14)4-10(8-16)9-17-15/h2-7,9H,1H3
InChIKeyMPCLEXPKUYCWOA-UHFFFAOYSA-N
XLogP3.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-methoxybenzo[g]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxybenzo[g]quinoline-3-carbonitrile?
The IUPAC name of 7-methoxybenzo[g]quinoline-3-carbonitrile (CID 70112486) is 7-methoxybenzo[g]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxybenzo[g]quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxybenzo[g]quinoline-3-carbonitrile is COc1ccc2cc3ncc(C#N)cc3cc2c1.
What is the InChIKey of 7-methoxybenzo[g]quinoline-3-carbonitrile?
The InChIKey is MPCLEXPKUYCWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-18-14-3-2-11-7-15-13(5-12(11)6-14)4-10(8-16)9-17-15/h2-7,9H,1H3.
What are the key properties of 7-methoxybenzo[g]quinoline-3-carbonitrile?
7-methoxybenzo[g]quinoline-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxybenzo[g]quinoline-3-carbonitrile is sourced from PubChem (CID 70112486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).