N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide

C26H23N3O5 — CID 3304811

IUPACN-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
SMILESCCCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)c1
InChIInChI=1S/C26H23N3O5/c1-3-13-34-19-8-6-7-17(14-19)24-16-21(20-9-4-5-10-22(20)27-24)26(30)28-23-12-11-18(33-2)15-25(23)29(31)32/h4-12,14-16H,3,13H2,1-2H3,(H,28,30)
InChIKeyHBNMDWXAMLNQSC-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.86
Rot. Bonds8

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

N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide (PubChem CID 3304811) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
PubChem CID3304811
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
SMILESCCCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)c1
InChIInChI=1S/C26H23N3O5/c1-3-13-34-19-8-6-7-17(14-19)24-16-21(20-9-4-5-10-22(20)27-24)26(30)28-23-12-11-18(33-2)15-25(23)29(31)32/h4-12,14-16H,3,13H2,1-2H3,(H,28,30)
InChIKeyHBNMDWXAMLNQSC-UHFFFAOYSA-N
XLogP5.86
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.86
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-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 4216201
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
CID 3680478
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-(4-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513014
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 19515707
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide (CID 3304811) is N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide is CCCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide?
The InChIKey is HBNMDWXAMLNQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-3-13-34-19-8-6-7-17(14-19)24-16-21(20-9-4-5-10-22(20)27-24)26(30)28-23-12-11-18(33-2)15-25(23)29(31)32/h4-12,14-16H,3,13H2,1-2H3,(H,28,30).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide?
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3304811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).