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

C15H18N4O — CID 127048046

IUPAC1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCN1c2cc(-c3cn[nH]c3)ccc2C(=O)NC1(C)C
InChIInChI=1S/C15H18N4O/c1-4-19-13-7-10(11-8-16-17-9-11)5-6-12(13)14(20)18-15(19,2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyASEAOWRSJOFNLO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.38
Rot. Bonds2

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

1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 127048046) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID127048046
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCN1c2cc(-c3cn[nH]c3)ccc2C(=O)NC1(C)C
InChIInChI=1S/C15H18N4O/c1-4-19-13-7-10(11-8-16-17-9-11)5-6-12(13)14(20)18-15(19,2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyASEAOWRSJOFNLO-UHFFFAOYSA-N
XLogP2.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.38
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-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 127048046) is 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is CCN1c2cc(-c3cn[nH]c3)ccc2C(=O)NC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is ASEAOWRSJOFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-19-13-7-10(11-8-16-17-9-11)5-6-12(13)14(20)18-15(19,2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 270.34 g/mol, XLogP of 2.38, 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-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 127048046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).