2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide

C14H14F4N2O3 — CID 119050626

IUPAC2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C14H14F4N2O3/c1-23-7-20-10-4-3-9(6-8(10)2-5-11(20)21)19-13(22)14(17,18)12(15)16/h3-4,6,12H,2,5,7H2,1H3,(H,19,22)
InChIKeyQJARYHRAQABGBS-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.41
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide

2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide (PubChem CID 119050626) has the molecular formula C14H14F4N2O3 and a molecular weight of 334.27 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
PubChem CID119050626
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C14H14F4N2O3/c1-23-7-20-10-4-3-9(6-8(10)2-5-11(20)21)19-13(22)14(17,18)12(15)16/h3-4,6,12H,2,5,7H2,1H3,(H,19,22)
InChIKeyQJARYHRAQABGBS-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
CID 99840589
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
CID 99840560
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide
CID 91650934
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
CID 99802618
2-chloro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzamide
CID 86818262
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2-amino-3-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 120994000
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
CID 16927141

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide (CID 119050626) is 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide is COCN1C(=O)CCc2cc(NC(=O)C(F)(F)C(F)F)ccc21.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide?
The InChIKey is QJARYHRAQABGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c1-23-7-20-10-4-3-9(6-8(10)2-5-11(20)21)19-13(22)14(17,18)12(15)16/h3-4,6,12H,2,5,7H2,1H3,(H,19,22).
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide?
2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide has a molecular weight of 334.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide is sourced from PubChem (CID 119050626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).