(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C20H24N2 — CID 22809252

IUPAC(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1
InChIInChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-19-9-6-15(2)12-17(19)18-13-21(3)11-10-20(18)22/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20+/m0/s1
InChIKeyPVIDLAJTKCUESM-AZUAARDMSA-N
MW292.43 g/mol
LogP4.24
Rot. Bonds1

About (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 22809252) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID22809252
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1
InChIInChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-19-9-6-15(2)12-17(19)18-13-21(3)11-10-20(18)22/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20+/m0/s1
InChIKeyPVIDLAJTKCUESM-AZUAARDMSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

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CID 94280
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Sdz ser-082
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CID 13660281
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
5,6-Dimethyl-2-phenylisoindoline
CID 2823735
5-(2-fluorophenyl)sulfonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16304086
Tocris-1255
CID 6604841
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161

Frequently Asked Questions

What is the IUPAC name of (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 22809252) is (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is Cc1ccc(N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1.
What is the InChIKey of (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is PVIDLAJTKCUESM-AZUAARDMSA-N. The full InChI is InChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-19-9-6-15(2)12-17(19)18-13-21(3)11-10-20(18)22/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
(4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 292.43 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bR)-2,8-dimethyl-5-(4-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 22809252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).