4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C22H26ClN — CID 154465607

IUPAC4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCC1(c2cc(-c3cccc(Cl)c3)c3c(n2)CCCCC3)CCCC1
InChIInChI=1S/C22H26ClN/c1-22(12-5-6-13-22)21-15-19(16-8-7-9-17(23)14-16)18-10-3-2-4-11-20(18)24-21/h7-9,14-15H,2-6,10-13H2,1H3
InChIKeySXYHREDFNXGSCD-UHFFFAOYSA-N
MW339.91 g/mol
LogP6.50
Rot. Bonds2

About 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 154465607) has the molecular formula C22H26ClN and a molecular weight of 339.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID154465607
Molecular FormulaC22H26ClN
Molecular Weight339.91 g/mol
Exact Mass339.18
IUPAC Name4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCC1(c2cc(-c3cccc(Cl)c3)c3c(n2)CCCCC3)CCCC1
InChIInChI=1S/C22H26ClN/c1-22(12-5-6-13-22)21-15-19(16-8-7-9-17(23)14-16)18-10-3-2-4-11-20(18)24-21/h7-9,14-15H,2-6,10-13H2,1H3
InChIKeySXYHREDFNXGSCD-UHFFFAOYSA-N
XLogP6.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-3-(4H-triazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 160659015
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675
3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 90338520
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
CID 15020616
2-chloro-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 15020637
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline
CID 133349219
9-(3-chlorophenyl)-10-azatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 102408042
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine
CID 163247764

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 154465607) is 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is CC1(c2cc(-c3cccc(Cl)c3)c3c(n2)CCCCC3)CCCC1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is SXYHREDFNXGSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN/c1-22(12-5-6-13-22)21-15-19(16-8-7-9-17(23)14-16)18-10-3-2-4-11-20(18)24-21/h7-9,14-15H,2-6,10-13H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 339.91 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 154465607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).