N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide

C26H24N2O4 — CID 2877092

IUPACN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C26H24N2O4/c1-31-21-13-11-19(16-22(21)32-2)24(28-23(29)15-17-7-4-3-5-8-17)20-12-10-18-9-6-14-27-25(18)26(20)30/h3-14,16,24,30H,15H2,1-2H3,(H,28,29)
InChIKeyVDNADKRFAFQSPT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.41
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide

N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide (PubChem CID 2877092) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
PubChem CID2877092
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C26H24N2O4/c1-31-21-13-11-19(16-22(21)32-2)24(28-23(29)15-17-7-4-3-5-8-17)20-12-10-18-9-6-14-27-25(18)26(20)30/h3-14,16,24,30H,15H2,1-2H3,(H,28,29)
InChIKeyVDNADKRFAFQSPT-UHFFFAOYSA-N
XLogP4.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide (CID 2877092) is N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide is COc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
The InChIKey is VDNADKRFAFQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-31-21-13-11-19(16-22(21)32-2)24(28-23(29)15-17-7-4-3-5-8-17)20-12-10-18-9-6-14-27-25(18)26(20)30/h3-14,16,24,30H,15H2,1-2H3,(H,28,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide?
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide has a molecular weight of 428.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 2877092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).