6-fluoro-4-piperidin-3-ylquinazoline

C13H14FN3 — CID 105489378

IUPAC6-fluoro-4-piperidin-3-ylquinazoline
SMILESFc1ccc2ncnc(C3CCCNC3)c2c1
InChIInChI=1S/C13H14FN3/c14-10-3-4-12-11(6-10)13(17-8-16-12)9-2-1-5-15-7-9/h3-4,6,8-9,15H,1-2,5,7H2
InChIKeyNXQIFXAUOIGRFQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.24
Rot. Bonds1

About 6-fluoro-4-piperidin-3-ylquinazoline

6-fluoro-4-piperidin-3-ylquinazoline (PubChem CID 105489378) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 6-fluoro-4-piperidin-3-ylquinazoline.

Molecular Properties

Compound Name6-fluoro-4-piperidin-3-ylquinazoline
PubChem CID105489378
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name6-fluoro-4-piperidin-3-ylquinazoline
SMILESFc1ccc2ncnc(C3CCCNC3)c2c1
InChIInChI=1S/C13H14FN3/c14-10-3-4-12-11(6-10)13(17-8-16-12)9-2-1-5-15-7-9/h3-4,6,8-9,15H,1-2,5,7H2
InChIKeyNXQIFXAUOIGRFQ-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-piperidin-3-ylquinazoline?
The IUPAC name of 6-fluoro-4-piperidin-3-ylquinazoline (CID 105489378) is 6-fluoro-4-piperidin-3-ylquinazoline.
What is the SMILES notation for 6-fluoro-4-piperidin-3-ylquinazoline?
The canonical SMILES for 6-fluoro-4-piperidin-3-ylquinazoline is Fc1ccc2ncnc(C3CCCNC3)c2c1.
What is the InChIKey of 6-fluoro-4-piperidin-3-ylquinazoline?
The InChIKey is NXQIFXAUOIGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-10-3-4-12-11(6-10)13(17-8-16-12)9-2-1-5-15-7-9/h3-4,6,8-9,15H,1-2,5,7H2.
What are the key properties of 6-fluoro-4-piperidin-3-ylquinazoline?
6-fluoro-4-piperidin-3-ylquinazoline has a molecular weight of 231.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-piperidin-3-ylquinazoline is sourced from PubChem (CID 105489378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).