N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H21N3O4 — CID 55355667

IUPACN-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1c2ccccc2CCC1C
InChIInChI=1S/C19H21N3O4/c1-13-7-8-14-5-3-4-6-17(14)21(13)12-19(23)20-16-10-9-15(22(24)25)11-18(16)26-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,23)
InChIKeyFAXOVDQCKPDKHA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.38
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 55355667) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID55355667
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1c2ccccc2CCC1C
InChIInChI=1S/C19H21N3O4/c1-13-7-8-14-5-3-4-6-17(14)21(13)12-19(23)20-16-10-9-15(22(24)25)11-18(16)26-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,23)
InChIKeyFAXOVDQCKPDKHA-UHFFFAOYSA-N
XLogP3.38
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.38
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

2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8724831
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24566730
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108505574
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8591987
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4542105
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8900035
(2R)-N-(2-methoxy-4-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7470100
N-(2-methoxy-4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686762

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 55355667) is N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN1c2ccccc2CCC1C.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is FAXOVDQCKPDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-7-8-14-5-3-4-6-17(14)21(13)12-19(23)20-16-10-9-15(22(24)25)11-18(16)26-2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 55355667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).