4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline

C15H19N5 — CID 66202594

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(C4CNC4)CC3)ncnc2c1
InChIInChI=1S/C15H19N5/c1-2-4-14-13(3-1)15(18-11-17-14)20-7-5-19(6-8-20)12-9-16-10-12/h1-4,11-12,16H,5-10H2
InChIKeyJKAIMLHPXRBRGP-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.72
Rot. Bonds2

About 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline

4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline (PubChem CID 66202594) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
PubChem CID66202594
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(C4CNC4)CC3)ncnc2c1
InChIInChI=1S/C15H19N5/c1-2-4-14-13(3-1)15(18-11-17-14)20-7-5-19(6-8-20)12-9-16-10-12/h1-4,11-12,16H,5-10H2
InChIKeyJKAIMLHPXRBRGP-UHFFFAOYSA-N
XLogP0.72
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quipazine
CID 5011
4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Smer 28
CID 1560402
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline (CID 66202594) is 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline is c1ccc2c(N3CCN(C4CNC4)CC3)ncnc2c1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline?
The InChIKey is JKAIMLHPXRBRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-4-14-13(3-1)15(18-11-17-14)20-7-5-19(6-8-20)12-9-16-10-12/h1-4,11-12,16H,5-10H2.
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline?
4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline has a molecular weight of 269.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 66202594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).