N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide

C26H25N3O2 — CID 57383852

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccc(-c2ccccn2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H25N3O2/c1-17(2)16-23(30)29-24(21-13-12-19-6-5-15-28-25(19)26(21)31)20-10-8-18(9-11-20)22-7-3-4-14-27-22/h3-15,17,24,31H,16H2,1-2H3,(H,29,30)
InChIKeyVINHGCFQACOXOB-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.25
Rot. Bonds6

About N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide

N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide (PubChem CID 57383852) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
PubChem CID57383852
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccc(-c2ccccn2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H25N3O2/c1-17(2)16-23(30)29-24(21-13-12-19-6-5-15-28-25(19)26(21)31)20-10-8-18(9-11-20)22-7-3-4-14-27-22/h3-15,17,24,31H,16H2,1-2H3,(H,29,30)
InChIKeyVINHGCFQACOXOB-UHFFFAOYSA-N
XLogP5.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 1084497
N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 57383849
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(8-hydroxyquinolin-7-yl)-(4-imidazol-1-ylphenyl)methyl]-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 57383880
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(8-hydroxyquinolin-7-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-methylbutanamide
CID 57383807
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide (CID 57383852) is N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide is CC(C)CC(=O)NC(c1ccc(-c2ccccn2)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide?
The InChIKey is VINHGCFQACOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17(2)16-23(30)29-24(21-13-12-19-6-5-15-28-25(19)26(21)31)20-10-8-18(9-11-20)22-7-3-4-14-27-22/h3-15,17,24,31H,16H2,1-2H3,(H,29,30).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide has a molecular weight of 411.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 57383852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).