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

C20H22N4 — CID 3235322

IUPAC2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccccc1-c1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C20H22N4/c1-15-7-3-4-8-16(15)19-21-18-10-6-5-9-17(18)20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChIKeyMRWSKSHWTXFWFL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.36
Rot. Bonds2

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

2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 3235322) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID3235322
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccccc1-c1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C20H22N4/c1-15-7-3-4-8-16(15)19-21-18-10-6-5-9-17(18)20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChIKeyMRWSKSHWTXFWFL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 3235322) is 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is Cc1ccccc1-c1nc(N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is MRWSKSHWTXFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-7-3-4-8-16(15)19-21-18-10-6-5-9-17(18)20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
2-(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 2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 3235322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).