2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C25H25N3O — CID 2923939

IUPAC2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1
InChIInChI=1S/C25H25N3O/c1-16(2)18-9-11-19(12-10-18)23(28-22-6-4-5-15-26-22)21-14-13-20-8-7-17(3)27-24(20)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)
InChIKeyQDVOKVIYOIYLAM-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.97
Rot. Bonds5

About 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2923939) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2923939
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1
InChIInChI=1S/C25H25N3O/c1-16(2)18-9-11-19(12-10-18)23(28-22-6-4-5-15-26-22)21-14-13-20-8-7-17(3)27-24(20)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)
InChIKeyQDVOKVIYOIYLAM-UHFFFAOYSA-N
XLogP5.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol with MolForge

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Related Compounds

Mls002637543
CID 219563
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
Mls1547
CID 1093278
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
CID 248986
2-(Pyridin-2-ylamino)quinolin-8-ol
CID 1380879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2923939) is 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is QDVOKVIYOIYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-16(2)18-9-11-19(12-10-18)23(28-22-6-4-5-15-26-22)21-14-13-20-8-7-17(3)27-24(20)25(21)29/h4-16,23,29H,1-3H3,(H,26,28).
What are the key properties of 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 383.50 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(4-propan-2-ylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2923939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).