N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C23H18N2O3 — CID 1038223

IUPACN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3O)c3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-16-12-10-15(11-13-16)21-14-18(17-6-2-3-7-19(17)24-21)23(27)25-20-8-4-5-9-22(20)26/h2-14,26H,1H3,(H,25,27)
InChIKeyMMTKTMZGLVMTAL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.87
Rot. Bonds4

About N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 1038223) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID1038223
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3O)c3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-16-12-10-15(11-13-16)21-14-18(17-6-2-3-7-19(17)24-21)23(27)25-20-8-4-5-9-22(20)26/h2-14,26H,1H3,(H,25,27)
InChIKeyMMTKTMZGLVMTAL-UHFFFAOYSA-N
XLogP4.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 1038223) is N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3O)c3ccccc3n2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is MMTKTMZGLVMTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-16-12-10-15(11-13-16)21-14-18(17-6-2-3-7-19(17)24-21)23(27)25-20-8-4-5-9-22(20)26/h2-14,26H,1H3,(H,25,27).
What are the key properties of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1038223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).