4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline

C25H24N4 — CID 1191881

IUPAC4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
SMILESc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-24(27-25)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyXATVSLHMOONKQS-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.62
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline

4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline (PubChem CID 1191881) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
PubChem CID1191881
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
SMILESc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-24(27-25)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyXATVSLHMOONKQS-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
4-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 154752797
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-phenoxyphenyl)quinazoline
CID 46087739
5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 10428496
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133276321
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline (CID 1191881) is 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline is c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline?
The InChIKey is XATVSLHMOONKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-28-15-17-29(18-16-28)25-22-13-7-8-14-23(22)26-24(27-25)21-11-5-2-6-12-21/h1-14H,15-19H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline?
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline has a molecular weight of 380.50 g/mol, XLogP of 4.62, 4 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)-2-phenylquinazoline is sourced from PubChem (CID 1191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).