1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol

C19H20ClN3O — CID 53373021

IUPAC1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCNC3)c1cccnc1
InChIInChI=1S/C19H20ClN3O/c1-19(24,13-3-2-5-21-10-13)9-12-7-14(20)8-15-16-11-22-6-4-17(16)23-18(12)15/h2-3,5,7-8,10,22-24H,4,6,9,11H2,1H3
InChIKeyQWPMIACAFOAZCG-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.31
Rot. Bonds3

About 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol

1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 53373021) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID53373021
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCNC3)c1cccnc1
InChIInChI=1S/C19H20ClN3O/c1-19(24,13-3-2-5-21-10-13)9-12-7-14(20)8-15-16-11-22-6-4-17(16)23-18(12)15/h2-3,5,7-8,10,22-24H,4,6,9,11H2,1H3
InChIKeyQWPMIACAFOAZCG-UHFFFAOYSA-N
XLogP3.31
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol (CID 53373021) is 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol is CC(O)(Cc1cc(Cl)cc2c3c([nH]c12)CCNC3)c1cccnc1.
What is the InChIKey of 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is QWPMIACAFOAZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-19(24,13-3-2-5-21-10-13)9-12-7-14(20)8-15-16-11-22-6-4-17(16)23-18(12)15/h2-3,5,7-8,10,22-24H,4,6,9,11H2,1H3.
What are the key properties of 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 341.84 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 53373021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).