5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one

C24H25N3O4 — CID 86686362

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccccc32)c(OC)c1
InChIInChI=1S/C24H25N3O4/c1-29-18-8-7-16(22(13-18)30-2)15-26-21-6-4-3-5-19(21)23-20(24(26)28)14-25-27(23)17-9-11-31-12-10-17/h3-8,13-14,17H,9-12,15H2,1-2H3
InChIKeyHLUOFLCKYJTLAJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.77
Rot. Bonds5

About 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one

5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86686362) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
PubChem CID86686362
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccccc32)c(OC)c1
InChIInChI=1S/C24H25N3O4/c1-29-18-8-7-16(22(13-18)30-2)15-26-21-6-4-3-5-19(21)23-20(24(26)28)14-25-27(23)17-9-11-31-12-10-17/h3-8,13-14,17H,9-12,15H2,1-2H3
InChIKeyHLUOFLCKYJTLAJ-UHFFFAOYSA-N
XLogP3.77
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686359
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
CID 89495074
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969944
3-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxy-2,5-dimethylphenyl)quinazolin-4-one
CID 46084209
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
CID 163207711
4-[(2,4-dimethoxyphenyl)methyl]-7-(3-fluoropropyl)pyrido[2,3-c]carbazol-3-one
CID 90459585
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)-3-trimethylstannylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091093
4-methoxy-2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135908590
11-[(4-methoxyphenyl)methyl]-6-(oxan-4-yl)-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 118956474

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one (CID 86686362) is 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccccc32)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is HLUOFLCKYJTLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-18-8-7-16(22(13-18)30-2)15-26-21-6-4-3-5-19(21)23-20(24(26)28)14-25-27(23)17-9-11-31-12-10-17/h3-8,13-14,17H,9-12,15H2,1-2H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86686362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).