N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide

C24H20N4O3 — CID 2965556

IUPACN-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O3/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-23-13-12-18(15-25-23)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,25,27,29)
InChIKeyIKEHVQAEFGOBTF-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.41
Rot. Bonds6

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

N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide (PubChem CID 2965556) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide
PubChem CID2965556
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O3/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-23-13-12-18(15-25-23)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,25,27,29)
InChIKeyIKEHVQAEFGOBTF-UHFFFAOYSA-N
XLogP5.41
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.41
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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Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide (CID 2965556) is N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide?
The InChIKey is IKEHVQAEFGOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-23-13-12-18(15-25-23)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,25,27,29).
What are the key properties of N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide?
N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)-2-(4-propylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2965556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).