4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one

C16H17N3O2 — CID 141390503

IUPAC4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2nc(C3CCOCC3)cc12
InChIInChI=1S/C16H17N3O2/c1-18-15-10-13(11-6-8-21-9-7-11)17-19(15)14-5-3-2-4-12(14)16(18)20/h2-5,10-11H,6-9H2,1H3
InChIKeyOJSDNXUUTQOIIT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.08
Rot. Bonds1

About 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one

4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 141390503) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one
PubChem CID141390503
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2nc(C3CCOCC3)cc12
InChIInChI=1S/C16H17N3O2/c1-18-15-10-13(11-6-8-21-9-7-11)17-19(15)14-5-3-2-4-12(14)16(18)20/h2-5,10-11H,6-9H2,1H3
InChIKeyOJSDNXUUTQOIIT-UHFFFAOYSA-N
XLogP2.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907000
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907001
2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135908481
2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910401
N-((1-methylpiperidin-4-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910419
N-((1-methylpyrrolidin-3-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910421
2-(4-(cyclopropylmethyl)piperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910423
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135910433
2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one (CID 141390503) is 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2nc(C3CCOCC3)cc12.
What is the InChIKey of 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is OJSDNXUUTQOIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-15-10-13(11-6-8-21-9-7-11)17-19(15)14-5-3-2-4-12(14)16(18)20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 283.33 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 141390503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).