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

C20H16ClN3OS — CID 51037499

IUPAC4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(NCc1ccccc1Cl)c1sccc12
InChIInChI=1S/C20H16ClN3OS/c1-22-20(25)15-7-4-6-13-14-9-10-26-18(14)19(24-17(13)15)23-11-12-5-2-3-8-16(12)21/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyHHYBHAUTDIUDIL-UHFFFAOYSA-N
MW381.89 g/mol
LogP5.07
Rot. Bonds4

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

4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide (PubChem CID 51037499) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
PubChem CID51037499
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(NCc1ccccc1Cl)c1sccc12
InChIInChI=1S/C20H16ClN3OS/c1-22-20(25)15-7-4-6-13-14-9-10-26-18(14)19(24-17(13)15)23-11-12-5-2-3-8-16(12)21/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyHHYBHAUTDIUDIL-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2481080
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CID 110696299
2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide
CID 119090275
N-[(2-chlorophenyl)methyl]isoquinoline-1-carboxamide
CID 110851409
N-methyl-6-(naphthalen-1-ylmethylamino)pyridazine-3-carboxamide
CID 133329112
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
CID 46364203
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide (CID 51037499) is 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide is CNC(=O)c1cccc2c1nc(NCc1ccccc1Cl)c1sccc12.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide?
The InChIKey is HHYBHAUTDIUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-22-20(25)15-7-4-6-13-14-9-10-26-18(14)19(24-17(13)15)23-11-12-5-2-3-8-16(12)21/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide?
4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide is sourced from PubChem (CID 51037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).