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

C18H19N3O3 — CID 8724831

IUPAC2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c1-13-9-10-14-5-2-3-8-17(14)20(13)12-18(22)19-15-6-4-7-16(11-15)21(23)24/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyUADVPPNPSZFXHW-ZDUSSCGKSA-N
MW325.37 g/mol
LogP3.37
Rot. Bonds4

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

2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 8724831) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID8724831
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c1-13-9-10-14-5-2-3-8-17(14)20(13)12-18(22)19-15-6-4-7-16(11-15)21(23)24/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyUADVPPNPSZFXHW-ZDUSSCGKSA-N
XLogP3.37
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55355667
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724718
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24566730
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]acetamide
CID 97094909
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
2-[(2R)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(3-nitrophenyl)acetamide
CID 7117110

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide (CID 8724831) is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide is C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is UADVPPNPSZFXHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-9-10-14-5-2-3-8-17(14)20(13)12-18(22)19-15-6-4-7-16(11-15)21(23)24/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide?
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 8724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).