[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone

C21H19Cl2NO2 — CID 160744599

IUPAC[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1CCO
InChIInChI=1S/C21H19Cl2NO2/c22-15-3-1-2-14(10-15)21(26)24-8-6-17-18-12-16(23)5-4-13(18)11-19(17)20(24)7-9-25/h1-5,10,12,20,25H,6-9,11H2
InChIKeyRWAOLSMKDWUYPP-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.60
Rot. Bonds3

About [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone

[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone (PubChem CID 160744599) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone
PubChem CID160744599
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1CCO
InChIInChI=1S/C21H19Cl2NO2/c22-15-3-1-2-14(10-15)21(26)24-8-6-17-18-12-16(23)5-4-13(18)11-19(17)20(24)7-9-25/h1-5,10,12,20,25H,6-9,11H2
InChIKeyRWAOLSMKDWUYPP-UHFFFAOYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
methyl 2-[(1R)-2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 8501761
(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride
CID 18531723
2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone
CID 158385481
2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 46226381
1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
CID 157115806
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-chlorophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095487
2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79539412
2-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 158686730
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone (CID 160744599) is [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1CCO.
What is the InChIKey of [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone?
The InChIKey is RWAOLSMKDWUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c22-15-3-1-2-14(10-15)21(26)24-8-6-17-18-12-16(23)5-4-13(18)11-19(17)20(24)7-9-25/h1-5,10,12,20,25H,6-9,11H2.
What are the key properties of [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone?
[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone has a molecular weight of 388.29 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 160744599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).