2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol

C18H18ClN3O — CID 123338352

IUPAC2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
SMILESOCC(c1ccncc1)n1c2c(c3cc(Cl)ccc31)CNCC2
InChIInChI=1S/C18H18ClN3O/c19-13-1-2-16-14(9-13)15-10-21-8-5-17(15)22(16)18(11-23)12-3-6-20-7-4-12/h1-4,6-7,9,18,21,23H,5,8,10-11H2
InChIKeySFJQTIDESPXSHQ-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.92
Rot. Bonds3

About 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol

2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol (PubChem CID 123338352) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
PubChem CID123338352
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
SMILESOCC(c1ccncc1)n1c2c(c3cc(Cl)ccc31)CNCC2
InChIInChI=1S/C18H18ClN3O/c19-13-1-2-16-14(9-13)15-10-21-8-5-17(15)22(16)18(11-23)12-3-6-20-7-4-12/h1-4,6-7,9,18,21,23H,5,8,10-11H2
InChIKeySFJQTIDESPXSHQ-UHFFFAOYSA-N
XLogP2.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol with MolForge

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Related Compounds

2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
CID 123794847
2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
CID 118011547
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-4-ylethanol
CID 59368152
8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 123644290
5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 58146998
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 46735922
5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667577
9-chloro-6-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 143985538
1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
CID 91194001
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The IUPAC name of 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol (CID 123338352) is 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The canonical SMILES for 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol is OCC(c1ccncc1)n1c2c(c3cc(Cl)ccc31)CNCC2.
What is the InChIKey of 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The InChIKey is SFJQTIDESPXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-13-1-2-16-14(9-13)15-10-21-8-5-17(15)22(16)18(11-23)12-3-6-20-7-4-12/h1-4,6-7,9,18,21,23H,5,8,10-11H2.
What are the key properties of 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol has a molecular weight of 327.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 123338352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).