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

C18H17N3O5 — CID 108505574

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O5/c1-26-16-11-13(21(24)25)8-9-14(16)19-17(22)18(23)20-10-4-6-12-5-2-3-7-15(12)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,22)
InChIKeyRWBRURBPBMNTOS-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.52
Rot. Bonds3

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide (PubChem CID 108505574) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
PubChem CID108505574
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O5/c1-26-16-11-13(21(24)25)8-9-14(16)19-17(22)18(23)20-10-4-6-12-5-2-3-7-15(12)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,22)
InChIKeyRWBRURBPBMNTOS-UHFFFAOYSA-N
XLogP2.52
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686762
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55355667
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
CID 108505557
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-pyrrolidin-1-ylprop-2-enamide
CID 108852641
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 26681039
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide (CID 108505574) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide?
The InChIKey is RWBRURBPBMNTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-26-16-11-13(21(24)25)8-9-14(16)19-17(22)18(23)20-10-4-6-12-5-2-3-7-15(12)20/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,22).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide has a molecular weight of 355.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 108505574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).