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

C18H24FN5 — CID 126892462

IUPAC7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCC(C)N1CCN(C2CN(c3ncnc4cc(F)ccc34)C2)CC1
InChIInChI=1S/C18H24FN5/c1-13(2)22-5-7-23(8-6-22)15-10-24(11-15)18-16-4-3-14(19)9-17(16)20-12-21-18/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyJDRUPPRAXLLYSE-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.98
Rot. Bonds3

About 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline

7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline (PubChem CID 126892462) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
PubChem CID126892462
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCC(C)N1CCN(C2CN(c3ncnc4cc(F)ccc34)C2)CC1
InChIInChI=1S/C18H24FN5/c1-13(2)22-5-7-23(8-6-22)15-10-24(11-15)18-16-4-3-14(19)9-17(16)20-12-21-18/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyJDRUPPRAXLLYSE-UHFFFAOYSA-N
XLogP1.98
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The IUPAC name of 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline (CID 126892462) is 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline.
What is the SMILES notation for 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The canonical SMILES for 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline is CC(C)N1CCN(C2CN(c3ncnc4cc(F)ccc34)C2)CC1.
What is the InChIKey of 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The InChIKey is JDRUPPRAXLLYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-13(2)22-5-7-23(8-6-22)15-10-24(11-15)18-16-4-3-14(19)9-17(16)20-12-21-18/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline?
7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline has a molecular weight of 329.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline is sourced from PubChem (CID 126892462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).