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

C20H20ClN3O — CID 53323856

IUPAC2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1
InChIInChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2
InChIKeyVINUCJJPLQYRFQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.74
Rot. Bonds4

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

2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (PubChem CID 53323856) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
PubChem CID53323856
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESClc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1
InChIInChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2
InChIKeyVINUCJJPLQYRFQ-UHFFFAOYSA-N
XLogP4.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.74
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-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (CID 53323856) is 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is Clc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The InChIKey is VINUCJJPLQYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2.
What are the key properties of 2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline has a molecular weight of 353.85 g/mol, XLogP of 4.74, 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-(cyclopropylmethoxy)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53323856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).