6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline

C18H18FN5O — CID 171702556

IUPAC6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline
SMILESCc1cncc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C18H18FN5O/c1-12-9-20-10-17(23-12)25-14-4-6-24(7-5-14)18-15-8-13(19)2-3-16(15)21-11-22-18/h2-3,8-11,14H,4-7H2,1H3
InChIKeyCOLWEIYRDXRZMP-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.92
Rot. Bonds3

About 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline

6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline (PubChem CID 171702556) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline
PubChem CID171702556
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline
SMILESCc1cncc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C18H18FN5O/c1-12-9-20-10-17(23-12)25-14-4-6-24(7-5-14)18-15-8-13(19)2-3-16(15)21-11-22-18/h2-3,8-11,14H,4-7H2,1H3
InChIKeyCOLWEIYRDXRZMP-UHFFFAOYSA-N
XLogP2.92
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline (CID 171702556) is 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline is Cc1cncc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)n1.
What is the InChIKey of 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline?
The InChIKey is COLWEIYRDXRZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-9-20-10-17(23-12)25-14-4-6-24(7-5-14)18-15-8-13(19)2-3-16(15)21-11-22-18/h2-3,8-11,14H,4-7H2,1H3.
What are the key properties of 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline?
6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline has a molecular weight of 339.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline is sourced from PubChem (CID 171702556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).