5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H15ClN2S — CID 16599442

IUPAC5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1nc2ccccc2cc1CN1CCc2sccc2C1
InChIInChI=1S/C17H15ClN2S/c18-17-14(9-12-3-1-2-4-15(12)19-17)11-20-7-5-16-13(10-20)6-8-21-16/h1-4,6,8-9H,5,7,10-11H2
InChIKeyXTXCOPAZEKMWSW-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.51
Rot. Bonds2

About 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 16599442) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID16599442
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1nc2ccccc2cc1CN1CCc2sccc2C1
InChIInChI=1S/C17H15ClN2S/c18-17-14(9-12-3-1-2-4-15(12)19-17)11-20-7-5-16-13(10-20)6-8-21-16/h1-4,6,8-9H,5,7,10-11H2
InChIKeyXTXCOPAZEKMWSW-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
1-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140011
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 72945001

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 16599442) is 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Clc1nc2ccccc2cc1CN1CCc2sccc2C1.
What is the InChIKey of 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is XTXCOPAZEKMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-17-14(9-12-3-1-2-4-15(12)19-17)11-20-7-5-16-13(10-20)6-8-21-16/h1-4,6,8-9H,5,7,10-11H2.
What are the key properties of 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 314.84 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 16599442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).