N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C25H22N2O5 — CID 4284967

IUPACN-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-19(18-6-4-5-7-20(18)27-21)25(29)26-16-8-10-17(28)11-9-16/h4-14,28H,1-3H3,(H,26,29)
InChIKeyVUYSSEQBALZIHX-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.89
Rot. Bonds6

About N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 4284967) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID4284967
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC NameN-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-19(18-6-4-5-7-20(18)27-21)25(29)26-16-8-10-17(28)11-9-16/h4-14,28H,1-3H3,(H,26,29)
InChIKeyVUYSSEQBALZIHX-UHFFFAOYSA-N
XLogP4.89
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 4284967) is N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VUYSSEQBALZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-22-12-15(13-23(31-2)24(22)32-3)21-14-19(18-6-4-5-7-20(18)27-21)25(29)26-16-8-10-17(28)11-9-16/h4-14,28H,1-3H3,(H,26,29).
What are the key properties of N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4284967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).