4-phenyl-2-piperazin-1-ylquinazoline

C18H18N4 — CID 3763388

IUPAC4-phenyl-2-piperazin-1-ylquinazoline
SMILESc1ccc(-c2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)20-18(21-17)22-12-10-19-11-13-22/h1-9,19H,10-13H2
InChIKeyGXOIDTTXZUMBPM-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.71
Rot. Bonds2

About 4-phenyl-2-piperazin-1-ylquinazoline

4-phenyl-2-piperazin-1-ylquinazoline (PubChem CID 3763388) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-phenyl-2-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name4-phenyl-2-piperazin-1-ylquinazoline
PubChem CID3763388
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-phenyl-2-piperazin-1-ylquinazoline
SMILESc1ccc(-c2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)20-18(21-17)22-12-10-19-11-13-22/h1-9,19H,10-13H2
InChIKeyGXOIDTTXZUMBPM-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperazin-1-ylquinazoline?
The IUPAC name of 4-phenyl-2-piperazin-1-ylquinazoline (CID 3763388) is 4-phenyl-2-piperazin-1-ylquinazoline.
What is the SMILES notation for 4-phenyl-2-piperazin-1-ylquinazoline?
The canonical SMILES for 4-phenyl-2-piperazin-1-ylquinazoline is c1ccc(-c2nc(N3CCNCC3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-piperazin-1-ylquinazoline?
The InChIKey is GXOIDTTXZUMBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)20-18(21-17)22-12-10-19-11-13-22/h1-9,19H,10-13H2.
What are the key properties of 4-phenyl-2-piperazin-1-ylquinazoline?
4-phenyl-2-piperazin-1-ylquinazoline has a molecular weight of 290.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperazin-1-ylquinazoline is sourced from PubChem (CID 3763388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).