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

C24H24BrN3O4 — CID 86686359

IUPAC7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccc(Br)cc32)c(OC)c1
InChIInChI=1S/C24H24BrN3O4/c1-30-18-5-3-15(22(12-18)31-2)14-27-21-11-16(25)4-6-19(21)23-20(24(27)29)13-26-28(23)17-7-9-32-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyQFLXFSNMWXRYND-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.53
Rot. Bonds5

About 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one

7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86686359) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
PubChem CID86686359
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccc(Br)cc32)c(OC)c1
InChIInChI=1S/C24H24BrN3O4/c1-30-18-5-3-15(22(12-18)31-2)14-27-21-11-16(25)4-6-19(21)23-20(24(27)29)13-26-28(23)17-7-9-32-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyQFLXFSNMWXRYND-UHFFFAOYSA-N
XLogP4.53
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
CID 89495074
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
CID 163207711
1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969944
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
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one (CID 86686359) is 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccc(Br)cc32)c(OC)c1.
What is the InChIKey of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is QFLXFSNMWXRYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-30-18-5-3-15(22(12-18)31-2)14-27-21-11-16(25)4-6-19(21)23-20(24(27)29)13-26-28(23)17-7-9-32-10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3.
What are the key properties of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one?
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 498.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86686359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).