4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline

C18H25N5 — CID 126892410

IUPAC4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCC(C)N1CCN(C2CN(c3ncnc4ccccc34)C2)CC1
InChIInChI=1S/C18H25N5/c1-14(2)21-7-9-22(10-8-21)15-11-23(12-15)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3
InChIKeyNCSPRMAXAQDYPY-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.84
Rot. Bonds3

About 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline

4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline (PubChem CID 126892410) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
PubChem CID126892410
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCC(C)N1CCN(C2CN(c3ncnc4ccccc34)C2)CC1
InChIInChI=1S/C18H25N5/c1-14(2)21-7-9-22(10-8-21)15-11-23(12-15)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3
InChIKeyNCSPRMAXAQDYPY-UHFFFAOYSA-N
XLogP1.84
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892462
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
CID 66202594
5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126892432
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133394964
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
4-(azepan-1-yl)quinazoline
CID 5207391

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The IUPAC name of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline (CID 126892410) is 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline.
What is the SMILES notation for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The canonical SMILES for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline is CC(C)N1CCN(C2CN(c3ncnc4ccccc34)C2)CC1.
What is the InChIKey of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The InChIKey is NCSPRMAXAQDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14(2)21-7-9-22(10-8-21)15-11-23(12-15)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline has a molecular weight of 311.43 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline is sourced from PubChem (CID 126892410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).