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

C25H27N3O2 — CID 178186962

IUPAC3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(C2NNC3c4ccccc4N(Cc4ccccc4OC)CC23)cc1
InChIInChI=1S/C25H27N3O2/c1-29-19-13-11-17(12-14-19)24-21-16-28(15-18-7-3-6-10-23(18)30-2)22-9-5-4-8-20(22)25(21)27-26-24/h3-14,21,24-27H,15-16H2,1-2H3
InChIKeyPORAUCJWKHSLHP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.23
Rot. Bonds5

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

3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (PubChem CID 178186962) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
PubChem CID178186962
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
SMILESCOc1ccc(C2NNC3c4ccccc4N(Cc4ccccc4OC)CC23)cc1
InChIInChI=1S/C25H27N3O2/c1-29-19-13-11-17(12-14-19)24-21-16-28(15-18-7-3-6-10-23(18)30-2)22-9-5-4-8-20(22)25(21)27-26-24/h3-14,21,24-27H,15-16H2,1-2H3
InChIKeyPORAUCJWKHSLHP-UHFFFAOYSA-N
XLogP4.23
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
(1S,5S,7S)-7-(2,5-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 29258970
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
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine
CID 102551105
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
[(3R,3aR,7aS)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-cyclobutylmethanone
CID 92596520

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline (CID 178186962) is 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is COc1ccc(C2NNC3c4ccccc4N(Cc4ccccc4OC)CC23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
The InChIKey is PORAUCJWKHSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-29-19-13-11-17(12-14-19)24-21-16-28(15-18-7-3-6-10-23(18)30-2)22-9-5-4-8-20(22)25(21)27-26-24/h3-14,21,24-27H,15-16H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline?
3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline has a molecular weight of 401.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 178186962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).