7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide

C13H13FN2O2 — CID 110485346

IUPAC7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CCO)C(=O)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C13H13FN2O2/c1-16(6-7-17)13(18)11-5-3-9-2-4-10(14)8-12(9)15-11/h2-5,8,17H,6-7H2,1H3
InChIKeyAHHMLXZLWJOFCD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.44
Rot. Bonds3

About 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide

7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide (PubChem CID 110485346) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
PubChem CID110485346
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CCO)C(=O)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C13H13FN2O2/c1-16(6-7-17)13(18)11-5-3-9-2-4-10(14)8-12(9)15-11/h2-5,8,17H,6-7H2,1H3
InChIKeyAHHMLXZLWJOFCD-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
CID 110485367
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
N-[2-(2-methoxyphenoxy)ethyl]-N-methylquinoline-2-carboxamide
CID 60537120
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
CID 110464431

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide (CID 110485346) is 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide is CN(CCO)C(=O)c1ccc2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide?
The InChIKey is AHHMLXZLWJOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-16(6-7-17)13(18)11-5-3-9-2-4-10(14)8-12(9)15-11/h2-5,8,17H,6-7H2,1H3.
What are the key properties of 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide?
7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 110485346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).