7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C22H28N4O3 — CID 667302

IUPAC7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2ccc(OC)c(OC)c2)CC3=O)CC1
InChIInChI=1S/C22H28N4O3/c1-4-25-7-9-26(10-8-25)22-23-14-17-18(24-22)11-16(12-19(17)27)15-5-6-20(28-2)21(13-15)29-3/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyLLMZGDUAKVPUOZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.55
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 667302) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID667302
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2ccc(OC)c(OC)c2)CC3=O)CC1
InChIInChI=1S/C22H28N4O3/c1-4-25-7-9-26(10-8-25)22-23-14-17-18(24-22)11-16(12-19(17)27)15-5-6-20(28-2)21(13-15)29-3/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyLLMZGDUAKVPUOZ-UHFFFAOYSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-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 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 667302) is 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CCN1CCN(c2ncc3c(n2)CC(c2ccc(OC)c(OC)c2)CC3=O)CC1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LLMZGDUAKVPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-25-7-9-26(10-8-25)22-23-14-17-18(24-22)11-16(12-19(17)27)15-5-6-20(28-2)21(13-15)29-3/h5-6,13-14,16H,4,7-12H2,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 396.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 667302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).