N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C24H19N3O5 — CID 5219745

IUPACN-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3n2)c1
InChIInChI=1S/C24H19N3O5/c1-31-17-7-5-6-15(12-17)21-14-19(18-8-3-4-9-20(18)25-21)24(28)26-22-13-16(27(29)30)10-11-23(22)32-2/h3-14H,1-2H3,(H,26,28)
InChIKeyWBAGOHHVBFFYEQ-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.08
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 5219745) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID5219745
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3n2)c1
InChIInChI=1S/C24H19N3O5/c1-31-17-7-5-6-15(12-17)21-14-19(18-8-3-4-9-20(18)25-21)24(28)26-22-13-16(27(29)30)10-11-23(22)32-2/h3-14H,1-2H3,(H,26,28)
InChIKeyWBAGOHHVBFFYEQ-UHFFFAOYSA-N
XLogP5.08
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 4196930
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
CID 3299006
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(2,4-dimethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5076234

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 5219745) is N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3n2)c1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is WBAGOHHVBFFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-31-17-7-5-6-15(12-17)21-14-19(18-8-3-4-9-20(18)25-21)24(28)26-22-13-16(27(29)30)10-11-23(22)32-2/h3-14H,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5219745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).