1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one

C16H20N4O — CID 127048047

IUPAC1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCN1c2cc(-c3cn[nH]c3C)ccc2C(=O)NC1(C)C
InChIInChI=1S/C16H20N4O/c1-5-20-14-8-11(13-9-17-19-10(13)2)6-7-12(14)15(21)18-16(20,3)4/h6-9H,5H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyHDIHIEKPJSPHMG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.69
Rot. Bonds2

About 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one

1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 127048047) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID127048047
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCN1c2cc(-c3cn[nH]c3C)ccc2C(=O)NC1(C)C
InChIInChI=1S/C16H20N4O/c1-5-20-14-8-11(13-9-17-19-10(13)2)6-7-12(14)15(21)18-16(20,3)4/h6-9H,5H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyHDIHIEKPJSPHMG-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 127048047) is 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one is CCN1c2cc(-c3cn[nH]c3C)ccc2C(=O)NC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is HDIHIEKPJSPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-5-20-14-8-11(13-9-17-19-10(13)2)6-7-12(14)15(21)18-16(20,3)4/h6-9H,5H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 127048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).