7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C21H17FN2O2S — CID 46686409

IUPAC7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2ccc(F)cc2n1
InChIInChI=1S/C21H17FN2O2S/c1-14-10-19(18-7-6-15(22)11-20(18)23-14)21(25)24(12-16-4-2-8-26-16)13-17-5-3-9-27-17/h2-11H,12-13H2,1H3
InChIKeyDXGDUMDUEDQKBF-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.18
Rot. Bonds5

About 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 46686409) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID46686409
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2ccc(F)cc2n1
InChIInChI=1S/C21H17FN2O2S/c1-14-10-19(18-7-6-15(22)11-20(18)23-14)21(25)24(12-16-4-2-8-26-16)13-17-5-3-9-27-17/h2-11H,12-13H2,1H3
InChIKeyDXGDUMDUEDQKBF-UHFFFAOYSA-N
XLogP5.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862194
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-furylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 6622738
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647243
2-(3-Ethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647971
2-(3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651442
3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865562
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2500137

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 46686409) is 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is DXGDUMDUEDQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-14-10-19(18-7-6-15(22)11-20(18)23-14)21(25)24(12-16-4-2-8-26-16)13-17-5-3-9-27-17/h2-11H,12-13H2,1H3.
What are the key properties of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46686409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).