2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one

C20H27N5O2 — CID 41106930

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCCC2)CCCC3)n1
InChIInChI=1S/C20H27N5O2/c1-14-12-15(2)25(22-14)20-21-17-9-5-4-8-16(17)19(27)24(20)13-18(26)23-10-6-3-7-11-23/h12H,3-11,13H2,1-2H3
InChIKeyJRTFVGQQDVLJRT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.94
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one

2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 41106930) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID41106930
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCCC2)CCCC3)n1
InChIInChI=1S/C20H27N5O2/c1-14-12-15(2)25(22-14)20-21-17-9-5-4-8-16(17)19(27)24(20)13-18(26)23-10-6-3-7-11-23/h12H,3-11,13H2,1-2H3
InChIKeyJRTFVGQQDVLJRT-UHFFFAOYSA-N
XLogP1.94
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 41106930) is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one is Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCCCC2)CCCC3)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is JRTFVGQQDVLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-12-15(2)25(22-14)20-21-17-9-5-4-8-16(17)19(27)24(20)13-18(26)23-10-6-3-7-11-23/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 369.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 41106930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).