4-(2-methylpiperazin-1-yl)quinazoline

C13H16N4 — CID 62673888

IUPAC4-(2-methylpiperazin-1-yl)quinazoline
SMILESCC1CNCCN1c1ncnc2ccccc12
InChIInChI=1S/C13H16N4/c1-10-8-14-6-7-17(10)13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyAUBJYNQRGWRBKC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.43
Rot. Bonds1

About 4-(2-methylpiperazin-1-yl)quinazoline

4-(2-methylpiperazin-1-yl)quinazoline (PubChem CID 62673888) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(2-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(2-methylpiperazin-1-yl)quinazoline
PubChem CID62673888
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(2-methylpiperazin-1-yl)quinazoline
SMILESCC1CNCCN1c1ncnc2ccccc12
InChIInChI=1S/C13H16N4/c1-10-8-14-6-7-17(10)13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyAUBJYNQRGWRBKC-UHFFFAOYSA-N
XLogP1.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(2-methylpiperazin-1-yl)quinazoline (CID 62673888) is 4-(2-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(2-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(2-methylpiperazin-1-yl)quinazoline is CC1CNCCN1c1ncnc2ccccc12.
What is the InChIKey of 4-(2-methylpiperazin-1-yl)quinazoline?
The InChIKey is AUBJYNQRGWRBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-8-14-6-7-17(10)13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of 4-(2-methylpiperazin-1-yl)quinazoline?
4-(2-methylpiperazin-1-yl)quinazoline has a molecular weight of 228.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 62673888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).