2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide

C22H16N4O4 — CID 2933456

IUPAC2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1
InChIInChI=1S/C22H16N4O4/c1-30-16-6-4-5-14(11-16)20-12-18(17-7-2-3-8-19(17)24-20)22(27)25-21-10-9-15(13-23-21)26(28)29/h2-13H,1H3,(H,23,25,27)
InChIKeyZATWCKKVBFWBES-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.47
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 2933456) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
PubChem CID2933456
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1
InChIInChI=1S/C22H16N4O4/c1-30-16-6-4-5-14(11-16)20-12-18(17-7-2-3-8-19(17)24-20)22(27)25-21-10-9-15(13-23-21)26(28)29/h2-13H,1H3,(H,23,25,27)
InChIKeyZATWCKKVBFWBES-UHFFFAOYSA-N
XLogP4.47
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide (CID 2933456) is 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is ZATWCKKVBFWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c1-30-16-6-4-5-14(11-16)20-12-18(17-7-2-3-8-19(17)24-20)22(27)25-21-10-9-15(13-23-21)26(28)29/h2-13H,1H3,(H,23,25,27).
What are the key properties of 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(5-nitro-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 2933456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).