2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one

C12H12N4O — CID 65197881

IUPAC2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCn1ccc(-c2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C12H12N4O/c1-16-6-5-10(15-16)12-13-7-8-9(14-12)3-2-4-11(8)17/h5-7H,2-4H2,1H3
InChIKeyHOYISZQPEKLPOM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.40
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 65197881) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID65197881
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCn1ccc(-c2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C12H12N4O/c1-16-6-5-10(15-16)12-13-7-8-9(14-12)3-2-4-11(8)17/h5-7H,2-4H2,1H3
InChIKeyHOYISZQPEKLPOM-UHFFFAOYSA-N
XLogP1.40
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 65197881) is 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one is Cn1ccc(-c2ncc3c(n2)CCCC3=O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HOYISZQPEKLPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-6-5-10(15-16)12-13-7-8-9(14-12)3-2-4-11(8)17/h5-7H,2-4H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 228.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 65197881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).