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

C26H29N3O — CID 178187032

IUPAC3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(C2NNC3c4cc(C)ccc4N(Cc4ccc(C)cc4)CC23)cc1
InChIInChI=1S/C26H29N3O/c1-17-4-7-19(8-5-17)15-29-16-23-25(20-9-11-21(30-3)12-10-20)27-28-26(23)22-14-18(2)6-13-24(22)29/h4-14,23,25-28H,15-16H2,1-3H3
InChIKeySCTDTRZYBYKJBH-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.84
Rot. Bonds4

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

3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (PubChem CID 178187032) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
PubChem CID178187032
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(C2NNC3c4cc(C)ccc4N(Cc4ccc(C)cc4)CC23)cc1
InChIInChI=1S/C26H29N3O/c1-17-4-7-19(8-5-17)15-29-16-23-25(20-9-11-21(30-3)12-10-20)27-28-26(23)22-14-18(2)6-13-24(22)29/h4-14,23,25-28H,15-16H2,1-3H3
InChIKeySCTDTRZYBYKJBH-UHFFFAOYSA-N
XLogP4.84
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178187161
8-ethoxy-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178186917
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
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
3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178186962
5-(4-ethoxyphenyl)-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 178186573
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
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
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]
CID 58221657
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (CID 178187032) is 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is COc1ccc(C2NNC3c4cc(C)ccc4N(Cc4ccc(C)cc4)CC23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The InChIKey is SCTDTRZYBYKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-17-4-7-19(8-5-17)15-29-16-23-25(20-9-11-21(30-3)12-10-20)27-28-26(23)22-14-18(2)6-13-24(22)29/h4-14,23,25-28H,15-16H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline has a molecular weight of 399.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 178187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).