6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide

C17H19FN2O6 — CID 108789564

IUPAC6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2C(O)O[C@H](CO)C(O)[C@@H]2O)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O6/c1-7-4-10(9-5-8(18)2-3-11(9)19-7)16(24)20-13-15(23)14(22)12(6-21)26-17(13)25/h2-5,12-15,17,21-23,25H,6H2,1H3,(H,20,24)/t12-,13?,14?,15-,17?/m1/s1
InChIKeyAQZRQMJPTGLMPS-KBMGIXFMSA-N
MW366.35 g/mol
LogP-0.79
Rot. Bonds3

About 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide

6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide (PubChem CID 108789564) has the molecular formula C17H19FN2O6 and a molecular weight of 366.35 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide
PubChem CID108789564
Molecular FormulaC17H19FN2O6
Molecular Weight366.35 g/mol
Exact Mass366.12
IUPAC Name6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2C(O)O[C@H](CO)C(O)[C@@H]2O)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O6/c1-7-4-10(9-5-8(18)2-3-11(9)19-7)16(24)20-13-15(23)14(22)12(6-21)26-17(13)25/h2-5,12-15,17,21-23,25H,6H2,1H3,(H,20,24)/t12-,13?,14?,15-,17?/m1/s1
InChIKeyAQZRQMJPTGLMPS-KBMGIXFMSA-N
XLogP-0.79
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide (CID 108789564) is 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide is Cc1cc(C(=O)NC2C(O)O[C@H](CO)C(O)[C@@H]2O)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide?
The InChIKey is AQZRQMJPTGLMPS-KBMGIXFMSA-N. The full InChI is InChI=1S/C17H19FN2O6/c1-7-4-10(9-5-8(18)2-3-11(9)19-7)16(24)20-13-15(23)14(22)12(6-21)26-17(13)25/h2-5,12-15,17,21-23,25H,6H2,1H3,(H,20,24)/t12-,13?,14?,15-,17?/m1/s1.
What are the key properties of 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide?
6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide has a molecular weight of 366.35 g/mol, XLogP of -0.79, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 108789564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).