2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline

C18H16ClNS — CID 66459340

IUPAC2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H16ClNS/c19-15(18-10-13-5-3-7-17(13)21-18)11-14-9-8-12-4-1-2-6-16(12)20-14/h1-2,4,6,8-10,15H,3,5,7,11H2
InChIKeyRVIFOQHEMNSGQG-UHFFFAOYSA-N
MW313.85 g/mol
LogP5.31
Rot. Bonds3

About 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline

2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline (PubChem CID 66459340) has the molecular formula C18H16ClNS and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
PubChem CID66459340
Molecular FormulaC18H16ClNS
Molecular Weight313.85 g/mol
Exact Mass313.07
IUPAC Name2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H16ClNS/c19-15(18-10-13-5-3-7-17(13)21-18)11-14-9-8-12-4-1-2-6-16(12)20-14/h1-2,4,6,8-10,15H,3,5,7,11H2
InChIKeyRVIFOQHEMNSGQG-UHFFFAOYSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.85
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459039
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63531101
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63543173
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-[2-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]-3-methylpyridine
CID 66459996
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537
2-(2-chloro-3-cyclobutylpropyl)quinoline
CID 103167493
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63530771
2-[2-bromo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]pyridine
CID 66454392

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline (CID 66459340) is 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline is ClC(Cc1ccc2ccccc2n1)c1cc2c(s1)CCC2.
What is the InChIKey of 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline?
The InChIKey is RVIFOQHEMNSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNS/c19-15(18-10-13-5-3-7-17(13)21-18)11-14-9-8-12-4-1-2-6-16(12)20-14/h1-2,4,6,8-10,15H,3,5,7,11H2.
What are the key properties of 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline?
2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline has a molecular weight of 313.85 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline is sourced from PubChem (CID 66459340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).