4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one

C22H22N2O3 — CID 56607096

IUPAC4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1cccc(C=C2CCCc3c2nc2ccc(C)cn2c3=O)c1OC
InChIInChI=1S/C22H22N2O3/c1-14-10-11-19-23-20-15(6-4-8-17(20)22(25)24(19)13-14)12-16-7-5-9-18(26-2)21(16)27-3/h5,7,9-13H,4,6,8H2,1-3H3
InChIKeyBXNVCRWMVNWCFO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.90
Rot. Bonds3

About 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one

4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 56607096) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one
PubChem CID56607096
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1cccc(C=C2CCCc3c2nc2ccc(C)cn2c3=O)c1OC
InChIInChI=1S/C22H22N2O3/c1-14-10-11-19-23-20-15(6-4-8-17(20)22(25)24(19)13-14)12-16-7-5-9-18(26-2)21(16)27-3/h5,7,9-13H,4,6,8H2,1-3H3
InChIKeyBXNVCRWMVNWCFO-UHFFFAOYSA-N
XLogP3.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-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 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one (CID 56607096) is 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one is COc1cccc(C=C2CCCc3c2nc2ccc(C)cn2c3=O)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is BXNVCRWMVNWCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-10-11-19-23-20-15(6-4-8-17(20)22(25)24(19)13-14)12-16-7-5-9-18(26-2)21(16)27-3/h5,7,9-13H,4,6,8H2,1-3H3.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one?
4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 362.43 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 4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 56607096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).