4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline

C23H21N5 — CID 661691

IUPAC4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H21N5/c1-2-8-18(9-3-1)27-14-16-28(17-15-27)23-19-10-4-5-11-20(19)25-22(26-23)21-12-6-7-13-24-21/h1-13H,14-17H2
InChIKeyDAWVEGMCMLEXJM-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.02
Rot. Bonds3

About 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline

4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline (PubChem CID 661691) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
PubChem CID661691
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H21N5/c1-2-8-18(9-3-1)27-14-16-28(17-15-27)23-19-10-4-5-11-20(19)25-22(26-23)21-12-6-7-13-24-21/h1-13H,14-17H2
InChIKeyDAWVEGMCMLEXJM-UHFFFAOYSA-N
XLogP4.02
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline (CID 661691) is 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline is c1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The InChIKey is DAWVEGMCMLEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-8-18(9-3-1)27-14-16-28(17-15-27)23-19-10-4-5-11-20(19)25-22(26-23)21-12-6-7-13-24-21/h1-13H,14-17H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline has a molecular weight of 367.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 661691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).