N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide

C16H19FN2O2 — CID 77091999

IUPACN-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide
SMILESCCN(CCCCO)C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H19FN2O2/c1-2-19(10-3-4-11-20)16(21)14-9-8-12-6-5-7-13(17)15(12)18-14/h5-9,20H,2-4,10-11H2,1H3
InChIKeyDOJPLLHUIYUJIS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.61
Rot. Bonds6

About N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide

N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide (PubChem CID 77091999) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide
PubChem CID77091999
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide
SMILESCCN(CCCCO)C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H19FN2O2/c1-2-19(10-3-4-11-20)16(21)14-9-8-12-6-5-7-13(17)15(12)18-14/h5-9,20H,2-4,10-11H2,1H3
InChIKeyDOJPLLHUIYUJIS-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
N-ethyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62237151
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide?
The IUPAC name of N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide (CID 77091999) is N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide.
What is the SMILES notation for N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide?
The canonical SMILES for N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide is CCN(CCCCO)C(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide?
The InChIKey is DOJPLLHUIYUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-19(10-3-4-11-20)16(21)14-9-8-12-6-5-7-13(17)15(12)18-14/h5-9,20H,2-4,10-11H2,1H3.
What are the key properties of N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide?
N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide is sourced from PubChem (CID 77091999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).