1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone

C19H22N6O2 — CID 166627221

IUPAC1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1
InChIInChI=1S/C19H22N6O2/c1-13(26)25-8-6-16(7-9-25)27-17-5-3-4-14-10-20-19(23-18(14)17)22-15-11-21-24(2)12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,22,23)
InChIKeyUHCBMMKCQYHWNK-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone

1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone (PubChem CID 166627221) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone
PubChem CID166627221
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1
InChIInChI=1S/C19H22N6O2/c1-13(26)25-8-6-16(7-9-25)27-17-5-3-4-14-10-20-19(23-18(14)17)22-15-11-21-24(2)12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,22,23)
InChIKeyUHCBMMKCQYHWNK-UHFFFAOYSA-N
XLogP2.50
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone (CID 166627221) is 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1.
What is the InChIKey of 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone?
The InChIKey is UHCBMMKCQYHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13(26)25-8-6-16(7-9-25)27-17-5-3-4-14-10-20-19(23-18(14)17)22-15-11-21-24(2)12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,22,23).
What are the key properties of 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone?
1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone has a molecular weight of 366.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 166627221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).