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

C24H23ClFN3O — CID 152706247

IUPAC4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
SMILESCOc1c2ccc(Cl)cc2nn1CC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClFN3O/c1-30-24-20-8-6-17(25)12-23(20)28-29(24)14-15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22/h6-13,15-16H,2-5,14H2,1H3
InChIKeyZSQBSZPWKODTJJ-UHFFFAOYSA-N
MW423.92 g/mol
LogP6.36
Rot. Bonds4

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

4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 152706247) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
PubChem CID152706247
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
SMILESCOc1c2ccc(Cl)cc2nn1CC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClFN3O/c1-30-24-20-8-6-17(25)12-23(20)28-29(24)14-15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22/h6-13,15-16H,2-5,14H2,1H3
InChIKeyZSQBSZPWKODTJJ-UHFFFAOYSA-N
XLogP6.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[4-[1-(6-chloro-3-methoxyindazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 153366232
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
tert-butyl-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethylideneamino]-oxidosulfanium
CID 174048964
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
CID 139429318
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline (CID 152706247) is 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline is COc1c2ccc(Cl)cc2nn1CC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is ZSQBSZPWKODTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c1-30-24-20-8-6-17(25)12-23(20)28-29(24)14-15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22/h6-13,15-16H,2-5,14H2,1H3.
What are the key properties of 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 423.92 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 152706247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).