7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

C21H17FN2O2S — CID 46808046

IUPAC7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17FN2O2S/c1-14-19(10-15-6-7-16(22)11-20(15)23-14)21(25)24(12-17-4-2-8-26-17)13-18-5-3-9-27-18/h2-11H,12-13H2,1H3
InChIKeyMWKRJJYSHXQPAW-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.18
Rot. Bonds5

About 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 46808046) 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-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
PubChem CID46808046
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17FN2O2S/c1-14-19(10-15-6-7-16(22)11-20(15)23-14)21(25)24(12-17-4-2-8-26-17)13-18-5-3-9-27-18/h2-11H,12-13H2,1H3
InChIKeyMWKRJJYSHXQPAW-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
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
2-(3-Ethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647971
3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 648100
3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865562
N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
CID 2090989
N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2622916
2-{[4-(2-Furoyl)piperazin-1-yl]carbonyl}-7-methylthieno[2,3-b]quinoline
CID 3238745
N-(2-furylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]quinoline-4-carboxamide
CID 3242565
4-Chloro-N-[(furan-2-YL)methyl]-N-(3-methylbutyl)thieno[3,2-C]quinoline-2-carboxamide
CID 16008868
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-furylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 16195321

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (CID 46808046) is 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is MWKRJJYSHXQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-14-19(10-15-6-7-16(22)11-20(15)23-14)21(25)24(12-17-4-2-8-26-17)13-18-5-3-9-27-18/h2-11H,12-13H2,1H3.
What are the key properties of 7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-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-3-carboxamide is sourced from PubChem (CID 46808046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).