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

C17H17N3O3 — CID 3512309

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O3/c21-17(18-14-8-2-4-10-16(14)20(22)23)12-19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,18,21)
InChIKeyQPBIXFJZKOVURN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.99
Rot. Bonds4

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 3512309) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID3512309
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O3/c21-17(18-14-8-2-4-10-16(14)20(22)23)12-19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,18,21)
InChIKeyQPBIXFJZKOVURN-UHFFFAOYSA-N
XLogP2.99
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide (CID 3512309) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide is O=C(CN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is QPBIXFJZKOVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(18-14-8-2-4-10-16(14)20(22)23)12-19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,18,21).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).