3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one

C18H17N5O2 — CID 172661061

IUPAC3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one
SMILESCCc1c(C)[nH]n2c(=O)cc(Cn3cnc4ccccc4c3=O)nc12
InChIInChI=1S/C18H17N5O2/c1-3-13-11(2)21-23-16(24)8-12(20-17(13)23)9-22-10-19-15-7-5-4-6-14(15)18(22)25/h4-8,10,21H,3,9H2,1-2H3
InChIKeyPXEYIAWUBAVEST-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.65
Rot. Bonds3

About 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one

3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one (PubChem CID 172661061) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one
PubChem CID172661061
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one
SMILESCCc1c(C)[nH]n2c(=O)cc(Cn3cnc4ccccc4c3=O)nc12
InChIInChI=1S/C18H17N5O2/c1-3-13-11(2)21-23-16(24)8-12(20-17(13)23)9-22-10-19-15-7-5-4-6-14(15)18(22)25/h4-8,10,21H,3,9H2,1-2H3
InChIKeyPXEYIAWUBAVEST-UHFFFAOYSA-N
XLogP1.65
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one with MolForge

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Related Compounds

3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7628275
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-ethyl-2-methyl-5-[(2-oxochromen-7-yl)oxymethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172655705
3-propylquinazolin-4-one
CID 529124
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one
CID 42935713
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 17459421
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one (CID 172661061) is 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one is CCc1c(C)[nH]n2c(=O)cc(Cn3cnc4ccccc4c3=O)nc12.
What is the InChIKey of 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one?
The InChIKey is PXEYIAWUBAVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-13-11(2)21-23-16(24)8-12(20-17(13)23)9-22-10-19-15-7-5-4-6-14(15)18(22)25/h4-8,10,21H,3,9H2,1-2H3.
What are the key properties of 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one?
3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 172661061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).