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

C20H15ClN2O2S — CID 12004925

IUPAC4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-23(12-7-9-13(25-2)10-8-12)20(24)17-11-15-18(26-17)14-5-3-4-6-16(14)22-19(15)21/h3-11H,1-2H3
InChIKeyLZTJYQNYIOZDEW-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.39
Rot. Bonds3

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

4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 12004925) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID12004925
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-23(12-7-9-13(25-2)10-8-12)20(24)17-11-15-18(26-17)14-5-3-4-6-16(14)22-19(15)21/h3-11H,1-2H3
InChIKeyLZTJYQNYIOZDEW-UHFFFAOYSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide (CID 12004925) is 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide is COc1ccc(N(C)C(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is LZTJYQNYIOZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-23(12-7-9-13(25-2)10-8-12)20(24)17-11-15-18(26-17)14-5-3-4-6-16(14)22-19(15)21/h3-11H,1-2H3.
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 12004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).