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

C21H23N3O2 — CID 71112100

IUPAC8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1
InChIInChI=1S/C21H23N3O2/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyYCZQZIXVESDSHN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.90
Rot. Bonds3

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

8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112100) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112100
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1
InChIInChI=1S/C21H23N3O2/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyYCZQZIXVESDSHN-UHFFFAOYSA-N
XLogP3.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-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-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112100) is 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.
What is the InChIKey of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is YCZQZIXVESDSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25/h4-8,11-12,14H,9-10,13H2,1-3H3.
What are the key properties of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 349.43 g/mol, XLogP of 3.90, 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-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).