N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide

C16H17FN2O3 — CID 70777306

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H17FN2O3/c1-2-22-14-9-21-8-13(14)19-16(20)12-7-6-10-4-3-5-11(17)15(10)18-12/h3-7,13-14H,2,8-9H2,1H3,(H,19,20)/t13-,14-/m0/s1
InChIKeySVVJTARQVLJHJF-KBPBESRZSA-N
MW304.32 g/mol
LogP1.91
Rot. Bonds4

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide (PubChem CID 70777306) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide
PubChem CID70777306
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H17FN2O3/c1-2-22-14-9-21-8-13(14)19-16(20)12-7-6-10-4-3-5-11(17)15(10)18-12/h3-7,13-14H,2,8-9H2,1H3,(H,19,20)/t13-,14-/m0/s1
InChIKeySVVJTARQVLJHJF-KBPBESRZSA-N
XLogP1.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cabamiquine
CID 71748268
(2S)-4-methyl-N-(4-oxooxolan-3-yl)-2-(quinolin-2-ylformamido)pentanamide
CID 10499322
6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767101
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2873539
2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2105531
N-[2-(dimethylamino)-2-phenylethyl]quinoline-2-carboxamide
CID 3441910
6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 3830087
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
[(1R)-1-[[(2S,3R)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-3-methylbutyl]boronic acid
CID 11710784
N-((3S,5R)-5-((N-hydroxyformamido)methyl)-2-methyl-4-oxononan-3-yl)quinoline-2-carboxamide
CID 24760700
N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-1-oxo-4-phenylbutan-2-yl]quinoline-2-carboxamide
CID 44583089
4-(4-Fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide
CID 71565668

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide (CID 70777306) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide?
The InChIKey is SVVJTARQVLJHJF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-2-22-14-9-21-8-13(14)19-16(20)12-7-6-10-4-3-5-11(17)15(10)18-12/h3-7,13-14H,2,8-9H2,1H3,(H,19,20)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-8-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 70777306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).