7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one

C24H24BrN3O4 — CID 89495074

IUPAC7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCCOC4)c3c3ccc(Br)cc32)c(OC)c1
InChIInChI=1S/C24H24BrN3O4/c1-30-18-7-5-15(22(11-18)31-2)13-27-21-10-16(25)6-8-19(21)23-20(24(27)29)12-26-28(23)17-4-3-9-32-14-17/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3
InChIKeyUELKHTDIDFNEJW-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.53
Rot. Bonds5

About 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one

7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one (PubChem CID 89495074) 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-3-yl)pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
PubChem CID89495074
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cnn(C4CCCOC4)c3c3ccc(Br)cc32)c(OC)c1
InChIInChI=1S/C24H24BrN3O4/c1-30-18-7-5-15(22(11-18)31-2)13-27-21-10-16(25)6-8-19(21)23-20(24(27)29)12-26-28(23)17-4-3-9-32-14-17/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3
InChIKeyUELKHTDIDFNEJW-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

Analyze 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686359
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
8-methoxy-3-(oxan-3-yl)-5H-pyridazino[4,5-b]indol-4-one
CID 167758594
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969944
1-[(2,4-dimethoxyphenyl)methyl]-N-[1-(oxolan-2-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632561
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
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
3-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxy-2,5-dimethylphenyl)quinazolin-4-one
CID 46084209

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one (CID 89495074) is 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3cnn(C4CCCOC4)c3c3ccc(Br)cc32)c(OC)c1.
What is the InChIKey of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is UELKHTDIDFNEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-30-18-7-5-15(22(11-18)31-2)13-27-21-10-16(25)6-8-19(21)23-20(24(27)29)12-26-28(23)17-4-3-9-32-14-17/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3.
What are the key properties of 7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one?
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-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-3-yl)pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 89495074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).