4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide

C19H14ClN3OS — CID 51036250

IUPAC4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C19H14ClN3OS/c1-21-19(24)12-6-4-5-11-16(12)23-18(13-9-10-25-17(11)13)22-15-8-3-2-7-14(15)20/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyIXPYOFCXANNZML-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.21
Rot. Bonds3

About 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide

4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide (PubChem CID 51036250) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide
PubChem CID51036250
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C19H14ClN3OS/c1-21-19(24)12-6-4-5-11-16(12)23-18(13-9-10-25-17(11)13)22-15-8-3-2-7-14(15)20/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyIXPYOFCXANNZML-UHFFFAOYSA-N
XLogP5.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide (CID 51036250) is 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide is CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12.
What is the InChIKey of 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide?
The InChIKey is IXPYOFCXANNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-21-19(24)12-6-4-5-11-16(12)23-18(13-9-10-25-17(11)13)22-15-8-3-2-7-14(15)20/h2-10H,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide?
4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-N-methylthieno[3,2-c]quinoline-6-carboxamide is sourced from PubChem (CID 51036250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).