N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide

C14H15FN2O3 — CID 110464548

IUPACN-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
SMILESCOC(CNC(=O)c1ccc2cccc(F)c2n1)OC
InChIInChI=1S/C14H15FN2O3/c1-19-12(20-2)8-16-14(18)11-7-6-9-4-3-5-10(15)13(9)17-11/h3-7,12H,8H2,1-2H3,(H,16,18)
InChIKeyBVUQMGCQHHLQFE-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.72
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide

N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide (PubChem CID 110464548) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
PubChem CID110464548
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
SMILESCOC(CNC(=O)c1ccc2cccc(F)c2n1)OC
InChIInChI=1S/C14H15FN2O3/c1-19-12(20-2)8-16-14(18)11-7-6-9-4-3-5-10(15)13(9)17-11/h3-7,12H,8H2,1-2H3,(H,16,18)
InChIKeyBVUQMGCQHHLQFE-UHFFFAOYSA-N
XLogP1.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
8-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464521
8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 131899479
methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
CID 50981969
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-8-fluoroquinoline-2-carboxamide
CID 97117742
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide (CID 110464548) is N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide is COC(CNC(=O)c1ccc2cccc(F)c2n1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide?
The InChIKey is BVUQMGCQHHLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-19-12(20-2)8-16-14(18)11-7-6-9-4-3-5-10(15)13(9)17-11/h3-7,12H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide?
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 110464548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).