7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C24H23N3O3 — CID 2907152

IUPAC7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C24H23N3O3/c1-15-7-8-16-9-11-18(24(28)23(16)26-15)22(27-21-6-4-5-13-25-21)17-10-12-19(29-2)20(14-17)30-3/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyLOYXKFMCNYZVQD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.86
Rot. Bonds6

About 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 2907152) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID2907152
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C24H23N3O3/c1-15-7-8-16-9-11-18(24(28)23(16)26-15)22(27-21-6-4-5-13-25-21)17-10-12-19(29-2)20(14-17)30-3/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyLOYXKFMCNYZVQD-UHFFFAOYSA-N
XLogP4.86
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 2907152) is 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is COc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC.
What is the InChIKey of 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is LOYXKFMCNYZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-7-8-16-9-11-18(24(28)23(16)26-15)22(27-21-6-4-5-13-25-21)17-10-12-19(29-2)20(14-17)30-3/h4-14,22,28H,1-3H3,(H,25,27).
What are the key properties of 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 401.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2907152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).