6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C17H16FN3O3 — CID 2897881

IUPAC6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16FN3O3/c1-11-2-3-12-10-13(18)4-9-16(12)20(11)17(22)19-14-5-7-15(8-6-14)21(23)24/h4-11H,2-3H2,1H3,(H,19,22)
InChIKeyDSUONPYYEYDFTJ-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.11
Rot. Bonds2

About 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 2897881) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID2897881
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16FN3O3/c1-11-2-3-12-10-13(18)4-9-16(12)20(11)17(22)19-14-5-7-15(8-6-14)21(23)24/h4-11H,2-3H2,1H3,(H,19,22)
InChIKeyDSUONPYYEYDFTJ-UHFFFAOYSA-N
XLogP4.11
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 6991795
ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
CID 2954621
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
(E)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 903270
(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 903272
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 11838020
(4-chloro-3-nitrophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2933461
N-(4-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654779
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 1245939
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 2897881) is 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is CC1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is DSUONPYYEYDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-2-3-12-10-13(18)4-9-16(12)20(11)17(22)19-14-5-7-15(8-6-14)21(23)24/h4-11H,2-3H2,1H3,(H,19,22).
What are the key properties of 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 2897881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).