1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one

C12H12N2O — CID 523987

IUPAC1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2c(nc3ccccn13)CCCC2
InChIInChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h3-4,7-8H,1-2,5-6H2
InChIKeyKIDSCEBUTHOOGI-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.57
Rot. Bonds

About 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one

1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 523987) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID523987
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2c(nc3ccccn13)CCCC2
InChIInChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h3-4,7-8H,1-2,5-6H2
InChIKeyKIDSCEBUTHOOGI-UHFFFAOYSA-N
XLogP1.57
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one 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 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 523987) is 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one is O=c1c2c(nc3ccccn13)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is KIDSCEBUTHOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 200.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 523987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).