4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide

C21H15Cl3N2OS — CID 46256118

IUPAC4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2OS/c1-2-9-26(12-7-8-15(22)16(23)10-12)21(27)18-11-14-19(28-18)13-5-3-4-6-17(13)25-20(14)24/h3-8,10-11H,2,9H2,1H3
InChIKeyMFMITPBDSALIKG-UHFFFAOYSA-N
MW449.79 g/mol
LogP7.47
Rot. Bonds4

About 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256118) has the molecular formula C21H15Cl3N2OS and a molecular weight of 449.79 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256118
Molecular FormulaC21H15Cl3N2OS
Molecular Weight449.79 g/mol
Exact Mass448.00
IUPAC Name4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2OS/c1-2-9-26(12-7-8-15(22)16(23)10-12)21(27)18-11-14-19(28-18)13-5-3-4-6-17(13)25-20(14)24/h3-8,10-11H,2,9H2,1H3
InChIKeyMFMITPBDSALIKG-UHFFFAOYSA-N
XLogP7.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.79
LogP ≤ 57.47
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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Related Compounds

4-chloro-N-(2-cyanoethyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 24761404
4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 6622499
2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 155536571
2-(5-Chloro-2-thienyl)-4-[(4-ethyl-1-piperazinyl)carbonyl]quinoline
CID 1223084
4-chloro-8-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 16194083
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
N-butyl-4-chloro-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 6622432
N-{2-[Butyl(methyl)amino]ethyl}-2-(5-chlorothiophen-2-YL)quinoline-4-carboxamide
CID 15987882
N-{2-[Bis(2-methylpropyl)amino]ethyl}-2-(5-chlorothiophen-2-YL)quinoline-4-carboxamide
CID 15987890
2-(5-chlorothiophen-2-yl)-N-[3-(dibutylamino)propyl]quinoline-4-carboxamide
CID 15988984
N-{3-[benzyl(ethyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide
CID 16008806
N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide
CID 16008808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide (CID 46256118) is 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide is CCCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is MFMITPBDSALIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2OS/c1-2-9-26(12-7-8-15(22)16(23)10-12)21(27)18-11-14-19(28-18)13-5-3-4-6-17(13)25-20(14)24/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 449.79 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).