8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline

C24H24FN3 — CID 178187113

IUPAC8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCc1ccc(CN2CC3C(c4ccccc4)NNC3c3cc(F)ccc32)cc1
InChIInChI=1S/C24H24FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,21,23-24,26-27H,14-15H2,1H3
InChIKeyBWHMJNBLBAMTIB-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.66
Rot. Bonds3

About 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline

8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (PubChem CID 178187113) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
PubChem CID178187113
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCc1ccc(CN2CC3C(c4ccccc4)NNC3c3cc(F)ccc32)cc1
InChIInChI=1S/C24H24FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,21,23-24,26-27H,14-15H2,1H3
InChIKeyBWHMJNBLBAMTIB-UHFFFAOYSA-N
XLogP4.66
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline with MolForge

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Related Compounds

8-[(4-fluorophenyl)methyl]-5-phenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178186661
3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178187032
8-ethoxy-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178186917
8-methoxy-5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178187161
8-[(3-fluorophenyl)methyl]-5-phenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178186664
5-(4-chlorophenyl)-8-[(4-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178186707
8-benzyl-5-(4-ethylphenyl)-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178188004
14-(4-fluorophenyl)-17-[(3-fluorophenyl)methyl]-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9-triene
CID 178187812
3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178186497
5-(4-ethoxyphenyl)-8-[(4-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178186620
5-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),9,11(15)-triene
CID 178188002
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (CID 178187113) is 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is Cc1ccc(CN2CC3C(c4ccccc4)NNC3c3cc(F)ccc32)cc1.
What is the InChIKey of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The InChIKey is BWHMJNBLBAMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,21,23-24,26-27H,14-15H2,1H3.
What are the key properties of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline has a molecular weight of 373.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 178187113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).