2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline

C25H23Cl2N3O — CID 53321188

IUPAC2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline
SMILESCC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1
InChIInChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3
InChIKeyXSXHDMUABOGLFX-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.82
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline

2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline (PubChem CID 53321188) has the molecular formula C25H23Cl2N3O and a molecular weight of 452.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline
PubChem CID53321188
Molecular FormulaC25H23Cl2N3O
Molecular Weight452.39 g/mol
Exact Mass451.12
IUPAC Name2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline
SMILESCC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1
InChIInChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3
InChIKeyXSXHDMUABOGLFX-UHFFFAOYSA-N
XLogP6.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline (CID 53321188) is 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline is CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline?
The InChIKey is XSXHDMUABOGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline?
2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline has a molecular weight of 452.39 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-8,8-dimethyl-7,9-dihydro-6H-pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53321188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).