6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline

C17H21FN4O — CID 95973225

IUPAC6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline
SMILESFc1ccc2ncnc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1
InChIInChI=1S/C17H21FN4O/c18-13-3-4-16-15(10-13)17(20-12-19-16)22-7-5-21(6-8-22)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2/t14-/m0/s1
InChIKeyZVOKKDRTMLWJLD-AWEZNQCLSA-N
MW316.38 g/mol
LogP2.07
Rot. Bonds3

About 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline

6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline (PubChem CID 95973225) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline
PubChem CID95973225
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline
SMILESFc1ccc2ncnc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1
InChIInChI=1S/C17H21FN4O/c18-13-3-4-16-15(10-13)17(20-12-19-16)22-7-5-21(6-8-22)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2/t14-/m0/s1
InChIKeyZVOKKDRTMLWJLD-AWEZNQCLSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline (CID 95973225) is 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline is Fc1ccc2ncnc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1.
What is the InChIKey of 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline?
The InChIKey is ZVOKKDRTMLWJLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-13-3-4-16-15(10-13)17(20-12-19-16)22-7-5-21(6-8-22)11-14-2-1-9-23-14/h3-4,10,12,14H,1-2,5-9,11H2/t14-/m0/s1.
What are the key properties of 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline?
6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline has a molecular weight of 316.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 95973225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).