N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide

C21H17ClN2OS — CID 46256894

IUPACN-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(C)Cc4ccccc4)sc3c2c1
InChIInChI=1S/C21H17ClN2OS/c1-13-8-9-17-15(10-13)19-16(20(22)23-17)11-18(26-19)21(25)24(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyKQJITRUHMLESMI-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.68
Rot. Bonds3

About N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide

N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256894) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256894
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)N(C)Cc4ccccc4)sc3c2c1
InChIInChI=1S/C21H17ClN2OS/c1-13-8-9-17-15(10-13)19-16(20(22)23-17)11-18(26-19)21(25)24(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyKQJITRUHMLESMI-UHFFFAOYSA-N
XLogP5.68
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 ≤ 55.68
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 N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (CID 46256894) is N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2nc(Cl)c3cc(C(=O)N(C)Cc4ccccc4)sc3c2c1.
What is the InChIKey of N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KQJITRUHMLESMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c1-13-8-9-17-15(10-13)19-16(20(22)23-17)11-18(26-19)21(25)24(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).