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

C16H13ClN2S — CID 81234819

IUPACN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc2ncccc12
InChIInChI=1S/C16H13ClN2S/c17-16-9-11-14(6-7-15(11)20-16)19-13-5-1-4-12-10(13)3-2-8-18-12/h1-5,8-9,14,19H,6-7H2
InChIKeyMKXIIKKIRFKRCO-UHFFFAOYSA-N
MW300.81 g/mol
LogP5.05
Rot. Bonds2

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

N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine (PubChem CID 81234819) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
PubChem CID81234819
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc2ncccc12
InChIInChI=1S/C16H13ClN2S/c17-16-9-11-14(6-7-15(11)20-16)19-13-5-1-4-12-10(13)3-2-8-18-12/h1-5,8-9,14,19H,6-7H2
InChIKeyMKXIIKKIRFKRCO-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11749138
CID 11749138
CID 4645982
CID 4645982
CID 9680827
CID 9680827
CID 10950564
CID 10950564
CID 10951799
CID 10951799
CID 11846958
CID 11846958
CID 11846961
CID 11846961
CID 45272782
CID 45272782
CID 71454606
CID 71454606
CID 71579334
CID 71579334
CID 118728619
CID 118728619
CID 118728621
CID 118728621

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine?
The IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine (CID 81234819) is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine?
The canonical SMILES for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine is Clc1cc2c(s1)CCC2Nc1cccc2ncccc12.
What is the InChIKey of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine?
The InChIKey is MKXIIKKIRFKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-16-9-11-14(6-7-15(11)20-16)19-13-5-1-4-12-10(13)3-2-8-18-12/h1-5,8-9,14,19H,6-7H2.
What are the key properties of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine?
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine has a molecular weight of 300.81 g/mol, XLogP of 5.05, 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)quinolin-5-amine is sourced from PubChem (CID 81234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).