6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one

C14H14N4O2 — CID 39826371

IUPAC6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2ncn(Cc3cc(C)[nH]n3)c(=O)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-5-10(17-16-9)7-18-8-15-13-4-3-11(20-2)6-12(13)14(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyWQVWGBMUTCANQW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.48
Rot. Bonds3

About 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one

6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one (PubChem CID 39826371) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
PubChem CID39826371
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2ncn(Cc3cc(C)[nH]n3)c(=O)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-5-10(17-16-9)7-18-8-15-13-4-3-11(20-2)6-12(13)14(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyWQVWGBMUTCANQW-UHFFFAOYSA-N
XLogP1.48
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 39820468
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
CID 167915221
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
CID 131924703
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one (CID 39826371) is 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one is COc1ccc2ncn(Cc3cc(C)[nH]n3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is WQVWGBMUTCANQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-5-10(17-16-9)7-18-8-15-13-4-3-11(20-2)6-12(13)14(18)19/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one?
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 39826371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).