2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline

C23H19Cl2N3O — CID 53322513

IUPAC2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1
InChIInChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2
InChIKeyMXTPRZSAMHVJFI-UHFFFAOYSA-N
MW424.33 g/mol
LogP6.19
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline

2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (PubChem CID 53322513) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
PubChem CID53322513
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC Name2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1
InChIInChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2
InChIKeyMXTPRZSAMHVJFI-UHFFFAOYSA-N
XLogP6.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazolo[4,3-c]quinoline
CID 53323855
3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 25187292
4-(4-Chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene
CID 25187293
2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 25187295
2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)-2H-pyrazolo[4,3-c]quinoline
CID 25188671
3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazolo[4,3-c]quinoline
CID 53317278
3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimethyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 53321188
2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 53323856
2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 53326435
2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyrazolo[4,3-c]quinoline
CID 53319883
4-(4-Chlorophenyl)-5-[(2-chlorophenyl)methoxy]-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraene
CID 53320033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (CID 53322513) is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is Clc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The InChIKey is MXTPRZSAMHVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2.
What are the key properties of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline has a molecular weight of 424.33 g/mol, XLogP of 6.19, 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-[(4-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53322513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).