2-(3,5-dimethylpiperazin-1-yl)quinazoline

C14H18N4 — CID 22636321

IUPAC2-(3,5-dimethylpiperazin-1-yl)quinazoline
SMILESCC1CN(c2ncc3ccccc3n2)CC(C)N1
InChIInChI=1S/C14H18N4/c1-10-8-18(9-11(2)16-10)14-15-7-12-5-3-4-6-13(12)17-14/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyMTBLPELGMTZXOH-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.82
Rot. Bonds1

About 2-(3,5-dimethylpiperazin-1-yl)quinazoline

2-(3,5-dimethylpiperazin-1-yl)quinazoline (PubChem CID 22636321) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)quinazoline
PubChem CID22636321
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)quinazoline
SMILESCC1CN(c2ncc3ccccc3n2)CC(C)N1
InChIInChI=1S/C14H18N4/c1-10-8-18(9-11(2)16-10)14-15-7-12-5-3-4-6-13(12)17-14/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyMTBLPELGMTZXOH-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)quinazoline (CID 22636321) is 2-(3,5-dimethylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)quinazoline is CC1CN(c2ncc3ccccc3n2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)quinazoline?
The InChIKey is MTBLPELGMTZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-8-18(9-11(2)16-10)14-15-7-12-5-3-4-6-13(12)17-14/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)quinazoline?
2-(3,5-dimethylpiperazin-1-yl)quinazoline has a molecular weight of 242.33 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 22636321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).