2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

C17H16ClN5 — CID 22692821

IUPAC2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1nc(N2CCN(c3ccccn3)CC2)c2ccccc2n1
InChIInChI=1S/C17H16ClN5/c18-17-20-14-6-2-1-5-13(14)16(21-17)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2
InChIKeyJLVYYNJPWUDZLT-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (PubChem CID 22692821) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
PubChem CID22692821
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1nc(N2CCN(c3ccccn3)CC2)c2ccccc2n1
InChIInChI=1S/C17H16ClN5/c18-17-20-14-6-2-1-5-13(14)16(21-17)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2
InChIKeyJLVYYNJPWUDZLT-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (CID 22692821) is 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is Clc1nc(N2CCN(c3ccccn3)CC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is JLVYYNJPWUDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c18-17-20-14-6-2-1-5-13(14)16(21-17)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2.
What are the key properties of 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 325.80 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 22692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).