N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide

C23H20N2O3S — CID 15988959

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C23H20N2O3S/c1-27-16-10-9-15(21(12-16)28-2)14-24-23(26)18-13-20(22-8-5-11-29-22)25-19-7-4-3-6-17(18)19/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyAWRWMDQJDPTYLQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.91
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 15988959) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID15988959
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C23H20N2O3S/c1-27-16-10-9-15(21(12-16)28-2)14-24-23(26)18-13-20(22-8-5-11-29-22)25-19-7-4-3-6-17(18)19/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyAWRWMDQJDPTYLQ-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4303105
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 15988959) is N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is AWRWMDQJDPTYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-27-16-10-9-15(21(12-16)28-2)14-24-23(26)18-13-20(22-8-5-11-29-22)25-19-7-4-3-6-17(18)19/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 15988959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).