N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine

C17H15ClN2S — CID 81233746

IUPACN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCc3sc(Cl)cc32)c2cccnc12
InChIInChI=1S/C17H15ClN2S/c1-10-4-5-13(11-3-2-8-19-17(10)11)20-14-6-7-15-12(14)9-16(18)21-15/h2-5,8-9,14,20H,6-7H2,1H3
InChIKeyGUMJDXXNCZSUJB-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.36
Rot. Bonds2

About N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine

N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine (PubChem CID 81233746) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine
PubChem CID81233746
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine
SMILESCc1ccc(NC2CCc3sc(Cl)cc32)c2cccnc12
InChIInChI=1S/C17H15ClN2S/c1-10-4-5-13(11-3-2-8-19-17(10)11)20-14-6-7-15-12(14)9-16(18)21-15/h2-5,8-9,14,20H,6-7H2,1H3
InChIKeyGUMJDXXNCZSUJB-UHFFFAOYSA-N
XLogP5.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine?
The IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine (CID 81233746) is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine.
What is the SMILES notation for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine?
The canonical SMILES for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine is Cc1ccc(NC2CCc3sc(Cl)cc32)c2cccnc12.
What is the InChIKey of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine?
The InChIKey is GUMJDXXNCZSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-10-4-5-13(11-3-2-8-19-17(10)11)20-14-6-7-15-12(14)9-16(18)21-15/h2-5,8-9,14,20H,6-7H2,1H3.
What are the key properties of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine?
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine has a molecular weight of 314.84 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine is sourced from PubChem (CID 81233746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).