7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one

C16H20N4O — CID 62008271

IUPAC7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCc1nn(C)c(C)c1-c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H20N4O/c1-9-14(10(2)20(5)19-9)15-17-8-11-12(18-15)6-16(3,4)7-13(11)21/h8H,6-7H2,1-5H3
InChIKeyRHMYSRHWFAPRQH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds1

About 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one (PubChem CID 62008271) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
PubChem CID62008271
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCc1nn(C)c(C)c1-c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H20N4O/c1-9-14(10(2)20(5)19-9)15-17-8-11-12(18-15)6-16(3,4)7-13(11)21/h8H,6-7H2,1-5H3
InChIKeyRHMYSRHWFAPRQH-UHFFFAOYSA-N
XLogP2.65
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one (CID 62008271) is 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one is Cc1nn(C)c(C)c1-c1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The InChIKey is RHMYSRHWFAPRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-14(10(2)20(5)19-9)15-17-8-11-12(18-15)6-16(3,4)7-13(11)21/h8H,6-7H2,1-5H3.
What are the key properties of 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one has a molecular weight of 284.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62008271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).