4-(4-methylpiperazin-1-yl)quinazoline

C13H16N4 — CID 21029584

IUPAC4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3
InChIKeyRDYFSMILBPHDCN-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.38
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)quinazoline

4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 21029584) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID21029584
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3
InChIKeyRDYFSMILBPHDCN-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)quinazoline (CID 21029584) is 4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is RDYFSMILBPHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)quinazoline?
4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 228.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 21029584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).