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

C15H10N2O2 — CID 69372063

IUPAC7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
SMILESCOc1cccc2c1ccc1c(=O)c(C#N)c[nH]c12
InChIInChI=1S/C15H10N2O2/c1-19-13-4-2-3-11-10(13)5-6-12-14(11)17-8-9(7-16)15(12)18/h2-6,8H,1H3,(H,17,18)
InChIKeyUCXDUYGAPLFEPH-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.56
Rot. Bonds1

About 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile

7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile (PubChem CID 69372063) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
PubChem CID69372063
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
SMILESCOc1cccc2c1ccc1c(=O)c(C#N)c[nH]c12
InChIInChI=1S/C15H10N2O2/c1-19-13-4-2-3-11-10(13)5-6-12-14(11)17-8-9(7-16)15(12)18/h2-6,8H,1H3,(H,17,18)
InChIKeyUCXDUYGAPLFEPH-UHFFFAOYSA-N
XLogP2.56
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile (CID 69372063) is 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile is COc1cccc2c1ccc1c(=O)c(C#N)c[nH]c12.
What is the InChIKey of 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
The InChIKey is UCXDUYGAPLFEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-19-13-4-2-3-11-10(13)5-6-12-14(11)17-8-9(7-16)15(12)18/h2-6,8H,1H3,(H,17,18).
What are the key properties of 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile?
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 69372063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).