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

C23H19ClFN3O — CID 25187295

IUPAC2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESFc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1
InChIInChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2
InChIKeyYNGRKYAIISTAOT-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.67
Rot. Bonds4

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

2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (PubChem CID 25187295) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
PubChem CID25187295
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESFc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1
InChIInChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2
InChIKeyYNGRKYAIISTAOT-UHFFFAOYSA-N
XLogP5.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.67
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-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (CID 25187295) is 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is Fc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The InChIKey is YNGRKYAIISTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2.
What are the key properties of 2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
2-(4-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline has a molecular weight of 407.88 g/mol, XLogP of 5.67, 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-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 25187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).