(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine

C14H11ClN2S — CID 171215211

IUPAC(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H11ClN2S/c15-14-11(13(16)10-5-6-18-8-10)7-9-3-1-2-4-12(9)17-14/h1-8,13H,16H2/t13-/m1/s1
InChIKeyRYDISNAUOHOOKI-CYBMUJFWSA-N
MW274.78 g/mol
LogP4.00
Rot. Bonds2

About (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine

(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine (PubChem CID 171215211) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine
PubChem CID171215211
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H11ClN2S/c15-14-11(13(16)10-5-6-18-8-10)7-9-3-1-2-4-12(9)17-14/h1-8,13H,16H2/t13-/m1/s1
InChIKeyRYDISNAUOHOOKI-CYBMUJFWSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine (CID 171215211) is (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cc2ccccc2nc1Cl.
What is the InChIKey of (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine?
The InChIKey is RYDISNAUOHOOKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-14-11(13(16)10-5-6-18-8-10)7-9-3-1-2-4-12(9)17-14/h1-8,13H,16H2/t13-/m1/s1.
What are the key properties of (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine?
(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine has a molecular weight of 274.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171215211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).