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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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
CID 171702679
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171702056
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
2-methyl-6-(1-pyrimidin-4-ylpiperidin-4-yl)oxypyrazine
CID 171701885
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
12-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 171702701
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700909
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933

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).