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

C23H19ClFN3O — CID 53326435

IUPAC2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESFc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3
InChIInChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2
InChIKeyKYXHUHDBKQSTAN-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.67
Rot. Bonds4

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

2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (PubChem CID 53326435) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
PubChem CID53326435
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
SMILESFc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3
InChIInChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2
InChIKeyKYXHUHDBKQSTAN-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-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline (CID 53326435) is 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is Fc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
The InChIKey is KYXHUHDBKQSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2.
What are the key properties of 2-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline?
2-(4-chlorophenyl)-3-[(2-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-[(2-fluorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53326435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).