3-cyclohexyl-2-fluoro-2H-quinazoline

C14H17FN2 — CID 150567049

IUPAC3-cyclohexyl-2-fluoro-2H-quinazoline
SMILESFC1N=c2ccccc2=CN1C1CCCCC1
InChIInChI=1S/C14H17FN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2
InChIKeyILASLZZLBDTZSQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.95
Rot. Bonds1

About 3-cyclohexyl-2-fluoro-2H-quinazoline

3-cyclohexyl-2-fluoro-2H-quinazoline (PubChem CID 150567049) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-cyclohexyl-2-fluoro-2H-quinazoline.

Molecular Properties

Compound Name3-cyclohexyl-2-fluoro-2H-quinazoline
PubChem CID150567049
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name3-cyclohexyl-2-fluoro-2H-quinazoline
SMILESFC1N=c2ccccc2=CN1C1CCCCC1
InChIInChI=1S/C14H17FN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2
InChIKeyILASLZZLBDTZSQ-UHFFFAOYSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-fluoro-2H-quinazoline?
The IUPAC name of 3-cyclohexyl-2-fluoro-2H-quinazoline (CID 150567049) is 3-cyclohexyl-2-fluoro-2H-quinazoline.
What is the SMILES notation for 3-cyclohexyl-2-fluoro-2H-quinazoline?
The canonical SMILES for 3-cyclohexyl-2-fluoro-2H-quinazoline is FC1N=c2ccccc2=CN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-fluoro-2H-quinazoline?
The InChIKey is ILASLZZLBDTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2.
What are the key properties of 3-cyclohexyl-2-fluoro-2H-quinazoline?
3-cyclohexyl-2-fluoro-2H-quinazoline has a molecular weight of 232.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-fluoro-2H-quinazoline is sourced from PubChem (CID 150567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).