4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline

C24H23N5O — CID 2546886

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline
SMILESCOc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C24H23N5O/c1-30-22-11-5-4-10-21(22)28-13-15-29(16-14-28)24-19-8-2-3-9-20(19)26-23(27-24)18-7-6-12-25-17-18/h2-12,17H,13-16H2,1H3
InChIKeyXWSHBLSZELWNIH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.03
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline (PubChem CID 2546886) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline
PubChem CID2546886
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline
SMILESCOc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C24H23N5O/c1-30-22-11-5-4-10-21(22)28-13-15-29(16-14-28)24-19-8-2-3-9-20(19)26-23(27-24)18-7-6-12-25-17-18/h2-12,17H,13-16H2,1H3
InChIKeyXWSHBLSZELWNIH-UHFFFAOYSA-N
XLogP4.03
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline (CID 2546886) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline is COc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline?
The InChIKey is XWSHBLSZELWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-30-22-11-5-4-10-21(22)28-13-15-29(16-14-28)24-19-8-2-3-9-20(19)26-23(27-24)18-7-6-12-25-17-18/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline has a molecular weight of 397.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 2546886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).