2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide

C25H21N3O4 — CID 4216201

IUPAC2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O4/c1-3-16-8-10-17(11-9-16)23-15-20(19-6-4-5-7-21(19)26-23)25(29)27-22-13-12-18(32-2)14-24(22)28(30)31/h4-15H,3H2,1-2H3,(H,27,29)
InChIKeyWOIKGNCMZFJEQI-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.63
Rot. Bonds6

About 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide

2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide (PubChem CID 4216201) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
PubChem CID4216201
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O4/c1-3-16-8-10-17(11-9-16)23-15-20(19-6-4-5-7-21(19)26-23)25(29)27-22-13-12-18(32-2)14-24(22)28(30)31/h4-15H,3H2,1-2H3,(H,27,29)
InChIKeyWOIKGNCMZFJEQI-UHFFFAOYSA-N
XLogP5.63
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.63
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

N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 19515707
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
CID 3680478
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
N-(4-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513014
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide (CID 4216201) is 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is WOIKGNCMZFJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-3-16-8-10-17(11-9-16)23-15-20(19-6-4-5-7-21(19)26-23)25(29)27-22-13-12-18(32-2)14-24(22)28(30)31/h4-15H,3H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4216201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).