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

C24H23N5O — CID 58279815

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
InChIKeyBNLATJNUBANGFF-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.03
Rot. Bonds4

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

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline (PubChem CID 58279815) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline
PubChem CID58279815
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
InChIKeyBNLATJNUBANGFF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline (CID 58279815) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline is COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline?
The InChIKey is BNLATJNUBANGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-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-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 58279815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).