4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline

C14H17FN4 — CID 24742055

IUPAC4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline
SMILESCCN1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyGCUDOIWOTAZOLO-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.91
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline

4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline (PubChem CID 24742055) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline
PubChem CID24742055
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline
SMILESCCN1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyGCUDOIWOTAZOLO-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline (CID 24742055) is 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline is CCN1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline?
The InChIKey is GCUDOIWOTAZOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline?
4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline has a molecular weight of 260.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-fluoroquinazoline is sourced from PubChem (CID 24742055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).