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

C14H16N4O — CID 62008080

IUPAC7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCn1cc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1
InChIInChI=1S/C14H16N4O/c1-14(2)4-11-10(12(19)5-14)7-15-13(17-11)9-6-16-18(3)8-9/h6-8H,4-5H2,1-3H3
InChIKeyIYECNEOLFBCZOW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.03
Rot. Bonds1

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

7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one (PubChem CID 62008080) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
PubChem CID62008080
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCn1cc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1
InChIInChI=1S/C14H16N4O/c1-14(2)4-11-10(12(19)5-14)7-15-13(17-11)9-6-16-18(3)8-9/h6-8H,4-5H2,1-3H3
InChIKeyIYECNEOLFBCZOW-UHFFFAOYSA-N
XLogP2.03
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
CID 104823206
7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
CID 62008271
2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79713618
7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
CID 115528248
2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62083583
2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79784088
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62391065
7,7-dimethyl-2-thiomorpholin-4-yl-6,8-dihydroquinazolin-5-one
CID 46397687
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 946339
7,7-dimethyl-2-(methylsulfonylmethyl)-6,8-dihydroquinazolin-5-one
CID 62474010
2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 103570351
2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738324

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one (CID 62008080) is 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one is Cn1cc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1.
What is the InChIKey of 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
The InChIKey is IYECNEOLFBCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(2)4-11-10(12(19)5-14)7-15-13(17-11)9-6-16-18(3)8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one has a molecular weight of 256.31 g/mol, XLogP of 2.03, 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-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).