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

C23H28N6 — CID 133315668

IUPAC4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCN1CCCC(N2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)C1
InChIInChI=1S/C23H28N6/c1-27-12-4-5-19(17-27)28-13-15-29(16-14-28)23-20-6-2-3-7-21(20)25-22(26-23)18-8-10-24-11-9-18/h2-3,6-11,19H,4-5,12-17H2,1H3
InChIKeyQZAIZEDYJFYNMC-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.91
Rot. Bonds3

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

4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 133315668) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID133315668
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCN1CCCC(N2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)C1
InChIInChI=1S/C23H28N6/c1-27-12-4-5-19(17-27)28-13-15-29(16-14-28)23-20-6-2-3-7-21(20)25-22(26-23)18-8-10-24-11-9-18/h2-3,6-11,19H,4-5,12-17H2,1H3
InChIKeyQZAIZEDYJFYNMC-UHFFFAOYSA-N
XLogP2.91
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline (CID 133315668) is 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline is CN1CCCC(N2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)C1.
What is the InChIKey of 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is QZAIZEDYJFYNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-27-12-4-5-19(17-27)28-13-15-29(16-14-28)23-20-6-2-3-7-21(20)25-22(26-23)18-8-10-24-11-9-18/h2-3,6-11,19H,4-5,12-17H2,1H3.
What are the key properties of 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline?
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 388.52 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 133315668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).