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

C22H17Cl2N3O — CID 53322514

IUPAC3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(-n2nc3c4c(ncc3c2Oc2ccccc2Cl)CCCC4)cc1
InChIInChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2
InChIKeyMVZSJFATYMUQIC-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.40
Rot. Bonds3

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

3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (PubChem CID 53322514) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
PubChem CID53322514
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(-n2nc3c4c(ncc3c2Oc2ccccc2Cl)CCCC4)cc1
InChIInChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2
InChIKeyMVZSJFATYMUQIC-UHFFFAOYSA-N
XLogP6.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (CID 53322514) is 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is Clc1ccc(-n2nc3c4c(ncc3c2Oc2ccccc2Cl)CCCC4)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The InChIKey is MVZSJFATYMUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2.
What are the key properties of 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline has a molecular weight of 410.30 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53322514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).