4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline

C25H25N5 — CID 24626620

IUPAC4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESc1ccc(CCN2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25N5/c1-2-6-20(7-3-1)12-15-29-16-18-30(19-17-29)25-22-8-4-5-9-23(22)27-24(28-25)21-10-13-26-14-11-21/h1-11,13-14H,12,15-19H2
InChIKeyVRXMWHMQHKWJDF-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.06
Rot. Bonds5

About 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline

4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 24626620) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID24626620
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESc1ccc(CCN2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25N5/c1-2-6-20(7-3-1)12-15-29-16-18-30(19-17-29)25-22-8-4-5-9-23(22)27-24(28-25)21-10-13-26-14-11-21/h1-11,13-14H,12,15-19H2
InChIKeyVRXMWHMQHKWJDF-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline (CID 24626620) is 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline is c1ccc(CCN2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is VRXMWHMQHKWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-6-20(7-3-1)12-15-29-16-18-30(19-17-29)25-22-8-4-5-9-23(22)27-24(28-25)21-10-13-26-14-11-21/h1-11,13-14H,12,15-19H2.
What are the key properties of 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 395.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 24626620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).