2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide

C25H21N3O6 — CID 2933028

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C25H21N3O6/c1-32-16-9-10-18(23(13-16)33-2)22-14-19(17-6-4-5-7-20(17)26-22)25(29)27-21-11-8-15(28(30)31)12-24(21)34-3/h4-14H,1-3H3,(H,27,29)
InChIKeyDHRPNWRCUMERIK-UHFFFAOYSA-N
MW459.46 g/mol
LogP5.09
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide (PubChem CID 2933028) has the molecular formula C25H21N3O6 and a molecular weight of 459.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
PubChem CID2933028
Molecular FormulaC25H21N3O6
Molecular Weight459.46 g/mol
Exact Mass459.14
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C25H21N3O6/c1-32-16-9-10-18(23(13-16)33-2)22-14-19(17-6-4-5-7-20(17)26-22)25(29)27-21-11-8-15(28(30)31)12-24(21)34-3/h4-14H,1-3H3,(H,27,29)
InChIKeyDHRPNWRCUMERIK-UHFFFAOYSA-N
XLogP5.09
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
CID 3299006
2-(2,4-dimethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5076234
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide (CID 2933028) is 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is DHRPNWRCUMERIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6/c1-32-16-9-10-18(23(13-16)33-2)22-14-19(17-6-4-5-7-20(17)26-22)25(29)27-21-11-8-15(28(30)31)12-24(21)34-3/h4-14H,1-3H3,(H,27,29).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2933028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).