4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

C25H25ClFN3O — CID 153366232

IUPAC4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESCOc1c2ccc(Cl)cc2nn1C(C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25ClFN3O/c1-15(30-25(31-2)21-9-7-18(26)13-24(21)29-30)16-3-5-17(6-4-16)20-11-12-28-23-10-8-19(27)14-22(20)23/h7-17H,3-6H2,1-2H3
InChIKeyHWZNRYGWSZSDMI-UHFFFAOYSA-N
MW437.95 g/mol
LogP6.92
Rot. Bonds4

About 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 153366232) has the molecular formula C25H25ClFN3O and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID153366232
Molecular FormulaC25H25ClFN3O
Molecular Weight437.95 g/mol
Exact Mass437.17
IUPAC Name4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESCOc1c2ccc(Cl)cc2nn1C(C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25ClFN3O/c1-15(30-25(31-2)21-9-7-18(26)13-24(21)29-30)16-3-5-17(6-4-16)20-11-12-28-23-10-8-19(27)14-22(20)23/h7-17H,3-6H2,1-2H3
InChIKeyHWZNRYGWSZSDMI-UHFFFAOYSA-N
XLogP6.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (CID 153366232) is 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is COc1c2ccc(Cl)cc2nn1C(C)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is HWZNRYGWSZSDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O/c1-15(30-25(31-2)21-9-7-18(26)13-24(21)29-30)16-3-5-17(6-4-16)20-11-12-28-23-10-8-19(27)14-22(20)23/h7-17H,3-6H2,1-2H3.
What are the key properties of 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 437.95 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 153366232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).