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

C22H19ClN2O3S — CID 46256946

IUPAC4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)c(OC)c1
InChIInChI=1S/C22H19ClN2O3S/c1-12-5-7-16-14(9-12)20-15(21(23)24-16)11-19(29-20)22(26)25(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3
InChIKeyTVLVHGHYPWCVOX-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.71
Rot. Bonds4

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

4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256946) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256946
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)c(OC)c1
InChIInChI=1S/C22H19ClN2O3S/c1-12-5-7-16-14(9-12)20-15(21(23)24-16)11-19(29-20)22(26)25(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3
InChIKeyTVLVHGHYPWCVOX-UHFFFAOYSA-N
XLogP5.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256939
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879945
N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256894
4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46256073
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
CID 46256980
N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 15998138
4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257034
ethyl 4-[(4-chloro-8-methylthieno[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46256991
4-chloro-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 92666311
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide (CID 46256946) is 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is COc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)c(OC)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is TVLVHGHYPWCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-12-5-7-16-14(9-12)20-15(21(23)24-16)11-19(29-20)22(26)25(2)17-8-6-13(27-3)10-18(17)28-4/h5-11H,1-4H3.
What are the key properties of 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).