6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline

C16H20FN5 — CID 126891860

IUPAC6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCN1CCN(C2CN(c3ncnc4ccc(F)cc34)C2)CC1
InChIInChI=1S/C16H20FN5/c1-20-4-6-21(7-5-20)13-9-22(10-13)16-14-8-12(17)2-3-15(14)18-11-19-16/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyIYKHKMZBSKYMBR-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.20
Rot. Bonds2

About 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline

6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline (PubChem CID 126891860) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
PubChem CID126891860
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
SMILESCN1CCN(C2CN(c3ncnc4ccc(F)cc34)C2)CC1
InChIInChI=1S/C16H20FN5/c1-20-4-6-21(7-5-20)13-9-22(10-13)16-14-8-12(17)2-3-15(14)18-11-19-16/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyIYKHKMZBSKYMBR-UHFFFAOYSA-N
XLogP1.20
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline (CID 126891860) is 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline is CN1CCN(C2CN(c3ncnc4ccc(F)cc34)C2)CC1.
What is the InChIKey of 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline?
The InChIKey is IYKHKMZBSKYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-20-4-6-21(7-5-20)13-9-22(10-13)16-14-8-12(17)2-3-15(14)18-11-19-16/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline?
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline has a molecular weight of 301.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline is sourced from PubChem (CID 126891860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).