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

C24H23N5 — CID 661762

IUPAC4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(CN2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-28-14-16-29(17-15-28)24-20-10-4-5-11-21(20)26-23(27-24)22-12-6-7-13-25-22/h1-13H,14-18H2
InChIKeyIHPPNIZLGNQUKL-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.01
Rot. Bonds4

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

4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline (PubChem CID 661762) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
PubChem CID661762
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(CN2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-28-14-16-29(17-15-28)24-20-10-4-5-11-21(20)26-23(27-24)22-12-6-7-13-25-22/h1-13H,14-18H2
InChIKeyIHPPNIZLGNQUKL-UHFFFAOYSA-N
XLogP4.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline (CID 661762) is 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline is c1ccc(CN2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
The InChIKey is IHPPNIZLGNQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-28-14-16-29(17-15-28)24-20-10-4-5-11-21(20)26-23(27-24)22-12-6-7-13-25-22/h1-13H,14-18H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline?
4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline has a molecular weight of 381.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 661762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).