4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide

C21H17ClN2OS — CID 46256073

IUPAC4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccccc1N(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C21H17ClN2OS/c1-3-13-8-4-7-11-17(13)24(2)21(25)18-12-15-19(26-18)14-9-5-6-10-16(14)23-20(15)22/h4-12H,3H2,1-2H3
InChIKeyWTSUJYANAAEJRO-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.94
Rot. Bonds3

About 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256073) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256073
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC Name4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccccc1N(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C21H17ClN2OS/c1-3-13-8-4-7-11-17(13)24(2)21(25)18-12-15-19(26-18)14-9-5-6-10-16(14)23-20(15)22/h4-12H,3H2,1-2H3
InChIKeyWTSUJYANAAEJRO-UHFFFAOYSA-N
XLogP5.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.94
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-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide (CID 46256073) is 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide is CCc1ccccc1N(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is WTSUJYANAAEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c1-3-13-8-4-7-11-17(13)24(2)21(25)18-12-15-19(26-18)14-9-5-6-10-16(14)23-20(15)22/h4-12H,3H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).