N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

C23H18F2N2OS — CID 46099055

IUPACN-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)NCc3cccc(F)c3F)c2cc1C
InChIInChI=1S/C23H18F2N2OS/c1-13-9-16-17(23(28)26-12-15-5-3-6-18(24)22(15)25)11-20(21-7-4-8-29-21)27-19(16)10-14(13)2/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPXGOGBNXVZIABJ-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.79
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 46099055) has the molecular formula C23H18F2N2OS and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID46099055
Molecular FormulaC23H18F2N2OS
Molecular Weight408.47 g/mol
Exact Mass408.11
IUPAC NameN-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)NCc3cccc(F)c3F)c2cc1C
InChIInChI=1S/C23H18F2N2OS/c1-13-9-16-17(23(28)26-12-15-5-3-6-18(24)22(15)25)11-20(21-7-4-8-29-21)27-19(16)10-14(13)2/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPXGOGBNXVZIABJ-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1011328
N-{3-[butyl(methyl)amino]propyl}-2-thien-2-ylquinoline-4-carboxamide
CID 22422668
N-[3-(dimethylamino)propyl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 2090061
N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2351889
N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2490964
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749430
N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 155511608
N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 673634
N-butan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4337674
N-(2,4-dimethylphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 998563

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 46099055) is N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc2nc(-c3cccs3)cc(C(=O)NCc3cccc(F)c3F)c2cc1C.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PXGOGBNXVZIABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2OS/c1-13-9-16-17(23(28)26-12-15-5-3-6-18(24)22(15)25)11-20(21-7-4-8-29-21)27-19(16)10-14(13)2/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46099055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).