4-(4-benzylpiperazin-1-yl)quinazoline

C19H20N4 — CID 725408

IUPAC4-(4-benzylpiperazin-1-yl)quinazoline
SMILESc1ccc(CN2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)19-17-8-4-5-9-18(17)20-15-21-19/h1-9,15H,10-14H2
InChIKeyGWKUFDSPVUIGEP-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.95
Rot. Bonds3

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

4-(4-benzylpiperazin-1-yl)quinazoline (PubChem CID 725408) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)quinazoline
PubChem CID725408
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-(4-benzylpiperazin-1-yl)quinazoline
SMILESc1ccc(CN2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)19-17-8-4-5-9-18(17)20-15-21-19/h1-9,15H,10-14H2
InChIKeyGWKUFDSPVUIGEP-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)quinazoline (CID 725408) is 4-(4-benzylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)quinazoline is c1ccc(CN2CCN(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)quinazoline?
The InChIKey is GWKUFDSPVUIGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)19-17-8-4-5-9-18(17)20-15-21-19/h1-9,15H,10-14H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)quinazoline?
4-(4-benzylpiperazin-1-yl)quinazoline has a molecular weight of 304.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 725408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).