8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C20H21N3O2 — CID 71112112

IUPAC8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeyHMABBJDXEBVHQX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.34
Rot. Bonds3

About 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112112) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112112
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeyHMABBJDXEBVHQX-UHFFFAOYSA-N
XLogP3.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[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 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112112) is 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1.
What is the InChIKey of 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is HMABBJDXEBVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20/h3-7,10-11H,8-9,12-13H2,1-2H3.
What are the key properties of 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 335.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).