2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C22H19N3O2S — CID 15990763

IUPAC2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCHFIKYPSNGATOY-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.98
Rot. Bonds6

About 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 15990763) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID15990763
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCHFIKYPSNGATOY-UHFFFAOYSA-N
XLogP4.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 15990763) is 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CHFIKYPSNGATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15990763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).