2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

C19H21N3O4 — CID 34948033

IUPAC2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C19H21N3O4/c1-13-5-6-15(22(24)25)11-17(13)20-19(23)12-21-9-3-4-14-10-16(26-2)7-8-18(14)21/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,23)
InChIKeyADQTUGBVXZDVAW-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.30
Rot. Bonds5

About 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 34948033) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID34948033
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C19H21N3O4/c1-13-5-6-15(22(24)25)11-17(13)20-19(23)12-21-9-3-4-14-10-16(26-2)7-8-18(14)21/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,23)
InChIKeyADQTUGBVXZDVAW-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18125383
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125374
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727308
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
CID 43823754
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-methoxybenzoate
CID 7861707
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)sulfanylethanone
CID 24556675
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705057
(3S)-3-(4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
CID 1305011
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8582945

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (CID 34948033) is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is COc1ccc2c(c1)CCCN2CC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is ADQTUGBVXZDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-5-6-15(22(24)25)11-17(13)20-19(23)12-21-9-3-4-14-10-16(26-2)7-8-18(14)21/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 34948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).