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

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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).