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

C23H20N2O2S — CID 9403977

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H20N2O2S/c1-25(15-16-8-3-6-11-21(16)27-2)23(26)18-14-20(22-12-7-13-28-22)24-19-10-5-4-9-17(18)19/h3-14H,15H2,1-2H3
InChIKeyPEJZJCVZAZFXKV-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.24
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 9403977) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID9403977
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H20N2O2S/c1-25(15-16-8-3-6-11-21(16)27-2)23(26)18-14-20(22-12-7-13-28-22)24-19-10-5-4-9-17(18)19/h3-14H,15H2,1-2H3
InChIKeyPEJZJCVZAZFXKV-UHFFFAOYSA-N
XLogP5.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 9403977) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PEJZJCVZAZFXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-25(15-16-8-3-6-11-21(16)27-2)23(26)18-14-20(22-12-7-13-28-22)24-19-10-5-4-9-17(18)19/h3-14H,15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 9403977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).