2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline

C14H13Cl2NS — CID 3117158

IUPAC2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline
SMILESCc1nc2c(C)cccc2c2c1CC(C(Cl)Cl)S2
InChIInChI=1S/C14H13Cl2NS/c1-7-4-3-5-9-12(7)17-8(2)10-6-11(14(15)16)18-13(9)10/h3-5,11,14H,6H2,1-2H3
InChIKeyLWXIOUAVEWTLTF-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.67
Rot. Bonds1

About 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline

2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline (PubChem CID 3117158) has the molecular formula C14H13Cl2NS and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline.

Molecular Properties

Compound Name2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline
PubChem CID3117158
Molecular FormulaC14H13Cl2NS
Molecular Weight298.24 g/mol
Exact Mass297.01
IUPAC Name2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline
SMILESCc1nc2c(C)cccc2c2c1CC(C(Cl)Cl)S2
InChIInChI=1S/C14H13Cl2NS/c1-7-4-3-5-9-12(7)17-8(2)10-6-11(14(15)16)18-13(9)10/h3-5,11,14H,6H2,1-2H3
InChIKeyLWXIOUAVEWTLTF-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline?
The IUPAC name of 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline (CID 3117158) is 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline.
What is the SMILES notation for 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline?
The canonical SMILES for 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline is Cc1nc2c(C)cccc2c2c1CC(C(Cl)Cl)S2.
What is the InChIKey of 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline?
The InChIKey is LWXIOUAVEWTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NS/c1-7-4-3-5-9-12(7)17-8(2)10-6-11(14(15)16)18-13(9)10/h3-5,11,14H,6H2,1-2H3.
What are the key properties of 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline?
2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline has a molecular weight of 298.24 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-4,6-dimethyl-2,3-dihydrothieno[3,2-c]quinoline is sourced from PubChem (CID 3117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).