(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide

C18H19FN2O3 — CID 135331644

IUPAC(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C18H19FN2O3/c19-18(9-8-15(22)16-14(18)7-4-10-20-16)17(23)21-11-12-24-13-5-2-1-3-6-13/h1-7,10,15,22H,8-9,11-12H2,(H,21,23)/t15-,18-/m0/s1
InChIKeyLQMMUIQUKHIMKL-YJBOKZPZSA-N
MW330.36 g/mol
LogP2.27
Rot. Bonds5

About (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide

(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 135331644) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound Name(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID135331644
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C18H19FN2O3/c19-18(9-8-15(22)16-14(18)7-4-10-20-16)17(23)21-11-12-24-13-5-2-1-3-6-13/h1-7,10,15,22H,8-9,11-12H2,(H,21,23)/t15-,18-/m0/s1
InChIKeyLQMMUIQUKHIMKL-YJBOKZPZSA-N
XLogP2.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide (CID 135331644) is (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(NCCOc1ccccc1)[C@]1(F)CC[C@H](O)c2ncccc21.
What is the InChIKey of (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is LQMMUIQUKHIMKL-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-18(9-8-15(22)16-14(18)7-4-10-20-16)17(23)21-11-12-24-13-5-2-1-3-6-13/h1-7,10,15,22H,8-9,11-12H2,(H,21,23)/t15-,18-/m0/s1.
What are the key properties of (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide?
(5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-5-fluoro-8-hydroxy-N-(2-phenoxyethyl)-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 135331644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).