N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C14H12F3N3O4 — CID 86793217

IUPACN-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(NC(=O)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H12F3N3O4/c1-8-4-12(19-13(21)6-24-7-14(15,16)17)10-5-9(20(22)23)2-3-11(10)18-8/h2-5H,6-7H2,1H3,(H,18,19,21)
InChIKeySDJURKXFMULCFE-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.97
Rot. Bonds5

About N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86793217) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86793217
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC NameN-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(NC(=O)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H12F3N3O4/c1-8-4-12(19-13(21)6-24-7-14(15,16)17)10-5-9(20(22)23)2-3-11(10)18-8/h2-5H,6-7H2,1H3,(H,18,19,21)
InChIKeySDJURKXFMULCFE-UHFFFAOYSA-N
XLogP2.97
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75507851
2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
CID 86793222
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998058
N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
CID 75507864
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
N-(2-hydroxy-5-nitrophenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 97065932
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484661
4-nitro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 63110767
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75507854
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86793217) is N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(NC(=O)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SDJURKXFMULCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-8-4-12(19-13(21)6-24-7-14(15,16)17)10-5-9(20(22)23)2-3-11(10)18-8/h2-5H,6-7H2,1H3,(H,18,19,21).
What are the key properties of N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 343.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86793217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).