4-(4-benzhydrylpiperazin-1-yl)quinazoline

C25H24N4 — CID 1413844

IUPAC4-(4-benzhydrylpiperazin-1-yl)quinazoline
SMILESc1ccc(C(c2ccccc2)N2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-19-27-25/h1-14,19,24H,15-18H2
InChIKeySJNZMXPJQGTFGM-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.54
Rot. Bonds4

About 4-(4-benzhydrylpiperazin-1-yl)quinazoline

4-(4-benzhydrylpiperazin-1-yl)quinazoline (PubChem CID 1413844) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)quinazoline
PubChem CID1413844
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)quinazoline
SMILESc1ccc(C(c2ccccc2)N2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-19-27-25/h1-14,19,24H,15-18H2
InChIKeySJNZMXPJQGTFGM-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)quinazoline (CID 1413844) is 4-(4-benzhydrylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)quinazoline is c1ccc(C(c2ccccc2)N2CCN(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)quinazoline?
The InChIKey is SJNZMXPJQGTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-19-27-25/h1-14,19,24H,15-18H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)quinazoline?
4-(4-benzhydrylpiperazin-1-yl)quinazoline has a molecular weight of 380.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 1413844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).