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

C13H10N2O — CID 166527162

IUPAC2-methylpyrido[2,1-b]quinazolin-1-one
SMILESCc1ccc2nc3ccccn3cc-2c1=O
InChIInChI=1S/C13H10N2O/c1-9-5-6-11-10(13(9)16)8-15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyWFTCIBFXFSTXRA-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.11
Rot. Bonds

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

2-methylpyrido[2,1-b]quinazolin-1-one (PubChem CID 166527162) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methylpyrido[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name2-methylpyrido[2,1-b]quinazolin-1-one
PubChem CID166527162
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-methylpyrido[2,1-b]quinazolin-1-one
SMILESCc1ccc2nc3ccccn3cc-2c1=O
InChIInChI=1S/C13H10N2O/c1-9-5-6-11-10(13(9)16)8-15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyWFTCIBFXFSTXRA-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-1-one?
The IUPAC name of 2-methylpyrido[2,1-b]quinazolin-1-one (CID 166527162) is 2-methylpyrido[2,1-b]quinazolin-1-one.
What is the SMILES notation for 2-methylpyrido[2,1-b]quinazolin-1-one?
The canonical SMILES for 2-methylpyrido[2,1-b]quinazolin-1-one is Cc1ccc2nc3ccccn3cc-2c1=O.
What is the InChIKey of 2-methylpyrido[2,1-b]quinazolin-1-one?
The InChIKey is WFTCIBFXFSTXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-5-6-11-10(13(9)16)8-15-7-3-2-4-12(15)14-11/h2-8H,1H3.
What are the key properties of 2-methylpyrido[2,1-b]quinazolin-1-one?
2-methylpyrido[2,1-b]quinazolin-1-one has a molecular weight of 210.24 g/mol, XLogP of 2.11, 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-1-one is sourced from PubChem (CID 166527162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).