3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole

C25H28N2O — CID 70508537

IUPAC3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cccc(C2=CCNC(C3Cc4c([nH]c5ccccc45)C(C)C3)C2)c1
InChIInChI=1S/C25H28N2O/c1-16-12-19(14-22-21-8-3-4-9-23(21)27-25(16)22)24-15-18(10-11-26-24)17-6-5-7-20(13-17)28-2/h3-10,13,16,19,24,26-27H,11-12,14-15H2,1-2H3
InChIKeyRFUJLUYQTSEZQD-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.29
Rot. Bonds3

About 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole

3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 70508537) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID70508537
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cccc(C2=CCNC(C3Cc4c([nH]c5ccccc45)C(C)C3)C2)c1
InChIInChI=1S/C25H28N2O/c1-16-12-19(14-22-21-8-3-4-9-23(21)27-25(16)22)24-15-18(10-11-26-24)17-6-5-7-20(13-17)28-2/h3-10,13,16,19,24,26-27H,11-12,14-15H2,1-2H3
InChIKeyRFUJLUYQTSEZQD-UHFFFAOYSA-N
XLogP5.29
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 70508145
1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole
CID 70508919
(1S,3R)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 6935830
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
5-(3-methoxyphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71262155
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
1-(2-bromo-4-methoxyphenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 172635544
(1S,3S)-6-methoxy-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 125482234
5-(3-methoxyphenyl)-1,2,3,6-tetrahydro-[1,4]diazepino[6,5-b]indole-2,3-diol
CID 123857882
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
CID 67868072
2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
CID 71497904
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 70508537) is 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole is COc1cccc(C2=CCNC(C3Cc4c([nH]c5ccccc45)C(C)C3)C2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is RFUJLUYQTSEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-16-12-19(14-22-21-8-3-4-9-23(21)27-25(16)22)24-15-18(10-11-26-24)17-6-5-7-20(13-17)28-2/h3-10,13,16,19,24,26-27H,11-12,14-15H2,1-2H3.
What are the key properties of 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole?
3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 372.51 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 70508537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).