N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C21H16N2O2S — CID 1221874

IUPACN-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H16N2O2S/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24)
InChIKeyJCNAMVIRHPENPG-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.22
Rot. Bonds4

About N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1221874) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1221874
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H16N2O2S/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24)
InChIKeyJCNAMVIRHPENPG-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 1221874) is N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is JCNAMVIRHPENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24).
What are the key properties of N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1221874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).