N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide

C19H17FN2O3 — CID 110911243

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C19H17FN2O3/c20-15-4-6-17(7-5-15)25-12-16(23)11-22-19(24)14-3-8-18-13(10-14)2-1-9-21-18/h1-10,16,23H,11-12H2,(H,22,24)
InChIKeyXDXHMKKSBWEPLY-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.54
Rot. Bonds6

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 110911243) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
PubChem CID110911243
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C19H17FN2O3/c20-15-4-6-17(7-5-15)25-12-16(23)11-22-19(24)14-3-8-18-13(10-14)2-1-9-21-18/h1-10,16,23H,11-12H2,(H,22,24)
InChIKeyXDXHMKKSBWEPLY-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide (CID 110911243) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide is O=C(NCC(O)COc1ccc(F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide?
The InChIKey is XDXHMKKSBWEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-15-4-6-17(7-5-15)25-12-16(23)11-22-19(24)14-3-8-18-13(10-14)2-1-9-21-18/h1-10,16,23H,11-12H2,(H,22,24).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 110911243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).