8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C20H22ClNO — CID 70630852

IUPAC8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCOc1cccc(C2c3ccc(Cl)cc3C3C2CCCN3C)c1
InChIInChI=1S/C20H22ClNO/c1-22-10-4-7-17-19(13-5-3-6-15(11-13)23-2)16-9-8-14(21)12-18(16)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3
InChIKeyWBZOQLIQGUWOMB-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.88
Rot. Bonds2

About 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 70630852) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID70630852
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCOc1cccc(C2c3ccc(Cl)cc3C3C2CCCN3C)c1
InChIInChI=1S/C20H22ClNO/c1-22-10-4-7-17-19(13-5-3-6-15(11-13)23-2)16-9-8-14(21)12-18(16)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3
InChIKeyWBZOQLIQGUWOMB-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine with MolForge

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Related Compounds

7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 54307557
5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767435
7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767545
5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
CID 22767533
1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767551
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767464
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
CID 54425276
(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 24839459
2-hydroxy-1-(3-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67692830

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 70630852) is 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is COc1cccc(C2c3ccc(Cl)cc3C3C2CCCN3C)c1.
What is the InChIKey of 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is WBZOQLIQGUWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c1-22-10-4-7-17-19(13-5-3-6-15(11-13)23-2)16-9-8-14(21)12-18(16)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3.
What are the key properties of 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 327.86 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 70630852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).