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

C18H19N5 — CID 820817

IUPAC4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
SMILESCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
InChIKeyIETSDDSVFULQJY-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline (PubChem CID 820817) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
PubChem CID820817
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
SMILESCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
InChIKeyIETSDDSVFULQJY-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline (CID 820817) is 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline is CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline?
The InChIKey is IETSDDSVFULQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline?
4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline has a molecular weight of 305.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 820817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).