2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide

C23H18N4O5 — CID 3299006

IUPAC2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C23H18N4O5/c1-31-15-8-9-17(21(11-15)32-2)20-12-18(16-5-3-4-6-19(16)25-20)23(28)26-22-10-7-14(13-24-22)27(29)30/h3-13H,1-2H3,(H,24,26,28)
InChIKeyGTNVPPCQRGNZHW-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.47
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 3299006) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
PubChem CID3299006
Molecular FormulaC23H18N4O5
Molecular Weight430.42 g/mol
Exact Mass430.13
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C23H18N4O5/c1-31-15-8-9-17(21(11-15)32-2)20-12-18(16-5-3-4-6-19(16)25-20)23(28)26-22-10-7-14(13-24-22)27(29)30/h3-13H,1-2H3,(H,24,26,28)
InChIKeyGTNVPPCQRGNZHW-UHFFFAOYSA-N
XLogP4.47
TPSA116.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.47
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-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
2-(2,4-dimethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5076234
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide (CID 3299006) is 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is GTNVPPCQRGNZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O5/c1-31-15-8-9-17(21(11-15)32-2)20-12-18(16-5-3-4-6-19(16)25-20)23(28)26-22-10-7-14(13-24-22)27(29)30/h3-13H,1-2H3,(H,24,26,28).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 4.47, 6 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-(5-nitro-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 3299006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).