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

C20H22N4 — CID 11267128

IUPAC4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccc(-c2nc(N3CCN(C)CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22N4/c1-15-7-9-16(10-8-15)19-17-5-3-4-6-18(17)21-20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChIKeyPNEGIFRRVRMZQQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.36
Rot. Bonds2

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

4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 11267128) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
PubChem CID11267128
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1ccc(-c2nc(N3CCN(C)CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22N4/c1-15-7-9-16(10-8-15)19-17-5-3-4-6-18(17)21-20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChIKeyPNEGIFRRVRMZQQ-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 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline (CID 11267128) is 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline is Cc1ccc(-c2nc(N3CCN(C)CC3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is PNEGIFRRVRMZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-7-9-16(10-8-15)19-17-5-3-4-6-18(17)21-20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
4-(4-methylphenyl)-2-(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 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 11267128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).