2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

C19H22ClN3O — CID 71141172

IUPAC2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCN1CCC2C(C1)c1cc(Cl)ccc1N2CC(O)c1cccnc1
InChIInChI=1S/C19H22ClN3O/c1-22-8-6-18-16(11-22)15-9-14(20)4-5-17(15)23(18)12-19(24)13-3-2-7-21-10-13/h2-5,7,9-10,16,18-19,24H,6,8,11-12H2,1H3
InChIKeyZDYVWZCEDGPVLP-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.08
Rot. Bonds3

About 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 71141172) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
PubChem CID71141172
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCN1CCC2C(C1)c1cc(Cl)ccc1N2CC(O)c1cccnc1
InChIInChI=1S/C19H22ClN3O/c1-22-8-6-18-16(11-22)15-9-14(20)4-5-17(15)23(18)12-19(24)13-3-2-7-21-10-13/h2-5,7,9-10,16,18-19,24H,6,8,11-12H2,1H3
InChIKeyZDYVWZCEDGPVLP-UHFFFAOYSA-N
XLogP3.08
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol with MolForge

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Related Compounds

[1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-yl] 2-methylpropanoate
CID 71470740
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-3-ylethanol
CID 59368236
8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 70971455
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 15607671
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;trihydrobromide
CID 78113930
(10bR)-6-benzyl-2,9-dimethyl-1,3,4,5,5a,10b-hexahydroazepino[4,3-b]indole
CID 58147095
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-(8,9-dichloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
CID 67309803
[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(2-chloro-3-pyridinyl)methanone
CID 2314652
2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol
CID 143798780

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (CID 71141172) is 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is CN1CCC2C(C1)c1cc(Cl)ccc1N2CC(O)c1cccnc1.
What is the InChIKey of 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The InChIKey is ZDYVWZCEDGPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-22-8-6-18-16(11-22)15-9-14(20)4-5-17(15)23(18)12-19(24)13-3-2-7-21-10-13/h2-5,7,9-10,16,18-19,24H,6,8,11-12H2,1H3.
What are the key properties of 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 343.86 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 71141172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).