4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

C21H17ClN2O4S — CID 12004995

IUPAC4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc(OC)c1OC
InChIInChI=1S/C21H17ClN2O4S/c1-26-15-8-11(9-16(27-2)18(15)28-3)23-21(25)17-10-13-19(29-17)12-6-4-5-7-14(12)24-20(13)22/h4-10H,1-3H3,(H,23,25)
InChIKeyQIXALSUBLYGAIX-UHFFFAOYSA-N
MW428.90 g/mol
LogP5.38
Rot. Bonds5

About 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 12004995) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID12004995
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc(OC)c1OC
InChIInChI=1S/C21H17ClN2O4S/c1-26-15-8-11(9-16(27-2)18(15)28-3)23-21(25)17-10-13-19(29-17)12-6-4-5-7-14(12)24-20(13)22/h4-10H,1-3H3,(H,23,25)
InChIKeyQIXALSUBLYGAIX-UHFFFAOYSA-N
XLogP5.38
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.90
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide (CID 12004995) is 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide is COc1cc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is QIXALSUBLYGAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-26-15-8-11(9-16(27-2)18(15)28-3)23-21(25)17-10-13-19(29-17)12-6-4-5-7-14(12)24-20(13)22/h4-10H,1-3H3,(H,23,25).
What are the key properties of 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 12004995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).