2-methylpyrido[2,1-b]quinazolin-11-one

C13H10N2O — CID 12846434

IUPAC2-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccccn3c(=O)c2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-11-10(8-9)13(16)15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyDTKOQPZHEHMOMW-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.16
Rot. Bonds

About 2-methylpyrido[2,1-b]quinazolin-11-one

2-methylpyrido[2,1-b]quinazolin-11-one (PubChem CID 12846434) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methylpyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-methylpyrido[2,1-b]quinazolin-11-one
PubChem CID12846434
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccccn3c(=O)c2c1
InChIInChI=1S/C13H10N2O/c1-9-5-6-11-10(8-9)13(16)15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyDTKOQPZHEHMOMW-UHFFFAOYSA-N
XLogP2.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-methylpyrido[2,1-b]quinazolin-11-one (CID 12846434) is 2-methylpyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-methylpyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-methylpyrido[2,1-b]quinazolin-11-one is Cc1ccc2nc3ccccn3c(=O)c2c1.
What is the InChIKey of 2-methylpyrido[2,1-b]quinazolin-11-one?
The InChIKey is DTKOQPZHEHMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-5-6-11-10(8-9)13(16)15-7-3-2-4-12(15)14-11/h2-8H,1H3.
What are the key properties of 2-methylpyrido[2,1-b]quinazolin-11-one?
2-methylpyrido[2,1-b]quinazolin-11-one has a molecular weight of 210.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 12846434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).