6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline

C20H22N4 — CID 3235439

IUPAC6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccccc1-c1ccc2ncnc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C20H22N4/c1-15-5-3-4-6-17(15)16-7-8-19-18(13-16)20(22-14-21-19)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQRDQDDAGPNADES-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.36
Rot. Bonds2

About 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline

6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 3235439) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID3235439
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccccc1-c1ccc2ncnc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C20H22N4/c1-15-5-3-4-6-17(15)16-7-8-19-18(13-16)20(22-14-21-19)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQRDQDDAGPNADES-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline 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 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 3235439) is 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is Cc1ccccc1-c1ccc2ncnc(N3CCN(C)CC3)c2c1.
What is the InChIKey of 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is QRDQDDAGPNADES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-5-3-4-6-17(15)16-7-8-19-18(13-16)20(22-14-21-19)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 318.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 3235439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).