6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide

C14H15FN2O2 — CID 110489255

IUPAC6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCO)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O2/c1-9-7-12(14(19)17(2)5-6-18)11-8-10(15)3-4-13(11)16-9/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyNGNFEOHSPJCZTR-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.75
Rot. Bonds3

About 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide

6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide (PubChem CID 110489255) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
PubChem CID110489255
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCO)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O2/c1-9-7-12(14(19)17(2)5-6-18)11-8-10(15)3-4-13(11)16-9/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyNGNFEOHSPJCZTR-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133368217
4-[(6-bromo-2-methylquinoline-4-carbonyl)-methylamino]butanoic acid
CID 119346825
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
CID 110485346
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
CID 18120133

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide (CID 110489255) is 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)CCO)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is NGNFEOHSPJCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-7-12(14(19)17(2)5-6-18)11-8-10(15)3-4-13(11)16-9/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 110489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).