4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide

C21H16Cl2N2OS — CID 46256939

IUPAC4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(C)c4cc(Cl)ccc4C)sc3c2c1
InChIInChI=1S/C21H16Cl2N2OS/c1-11-4-7-16-14(8-11)19-15(20(23)24-16)10-18(27-19)21(26)25(3)17-9-13(22)6-5-12(17)2/h4-10H,1-3H3
InChIKeyVZUDLYULJAIYMD-UHFFFAOYSA-N
MW415.35 g/mol
LogP6.65
Rot. Bonds2

About 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256939) has the molecular formula C21H16Cl2N2OS and a molecular weight of 415.35 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256939
Molecular FormulaC21H16Cl2N2OS
Molecular Weight415.35 g/mol
Exact Mass414.04
IUPAC Name4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(C)c4cc(Cl)ccc4C)sc3c2c1
InChIInChI=1S/C21H16Cl2N2OS/c1-11-4-7-16-14(8-11)19-15(20(23)24-16)10-18(27-19)21(26)25(3)17-9-13(22)6-5-12(17)2/h4-10H,1-3H3
InChIKeyVZUDLYULJAIYMD-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.35
LogP ≤ 56.65
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (CID 46256939) is 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2nc(Cl)c3cc(C(=O)N(C)c4cc(Cl)ccc4C)sc3c2c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is VZUDLYULJAIYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2OS/c1-11-4-7-16-14(8-11)19-15(20(23)24-16)10-18(27-19)21(26)25(3)17-9-13(22)6-5-12(17)2/h4-10H,1-3H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).