8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide

C16H13FN2O3 — CID 74230918

IUPAC8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C16H13FN2O3/c1-19(9-10-4-3-7-22-10)16(21)13-8-14(20)11-5-2-6-12(17)15(11)18-13/h2-8H,9H2,1H3,(H,18,20)
InChIKeySBBZZWMUTAGIPJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.53
Rot. Bonds3

About 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide

8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 74230918) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide
PubChem CID74230918
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C16H13FN2O3/c1-19(9-10-4-3-7-22-10)16(21)13-8-14(20)11-5-2-6-12(17)15(11)18-13/h2-8H,9H2,1H3,(H,18,20)
InChIKeySBBZZWMUTAGIPJ-UHFFFAOYSA-N
XLogP2.53
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 18109842
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide (CID 74230918) is 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide is CN(Cc1ccco1)C(=O)c1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is SBBZZWMUTAGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-19(9-10-4-3-7-22-10)16(21)13-8-14(20)11-5-2-6-12(17)15(11)18-13/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide?
8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 74230918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).