N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide

C18H21FN2O4 — CID 11717229

IUPACN-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN2O4/c1-9(2)18(24)21-17-6-12(15-7-14(23)16(8-22)25-15)11-5-10(19)3-4-13(11)20-17/h3-6,9,14-16,22-23H,7-8H2,1-2H3,(H,20,21,24)/t14-,15+,16+/m0/s1
InChIKeyPWJPFTHFCYZUGJ-ARFHVFGLSA-N
MW348.37 g/mol
LogP2.15
Rot. Bonds4

About N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide

N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide (PubChem CID 11717229) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide
PubChem CID11717229
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC NameN-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN2O4/c1-9(2)18(24)21-17-6-12(15-7-14(23)16(8-22)25-15)11-5-10(19)3-4-13(11)20-17/h3-6,9,14-16,22-23H,7-8H2,1-2H3,(H,20,21,24)/t14-,15+,16+/m0/s1
InChIKeyPWJPFTHFCYZUGJ-ARFHVFGLSA-N
XLogP2.15
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide (CID 11717229) is N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1.
What is the InChIKey of N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide?
The InChIKey is PWJPFTHFCYZUGJ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-9(2)18(24)21-17-6-12(15-7-14(23)16(8-22)25-15)11-5-10(19)3-4-13(11)20-17/h3-6,9,14-16,22-23H,7-8H2,1-2H3,(H,20,21,24)/t14-,15+,16+/m0/s1.
What are the key properties of N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide?
N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide has a molecular weight of 348.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 11717229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).