7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol

C24H23N3O3 — CID 19233281

IUPAC7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(NC(c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C24H23N3O3/c1-15-4-5-16-6-8-19(24(28)23(16)26-15)22(17-10-12-25-13-11-17)27-18-7-9-20(29-2)21(14-18)30-3/h4-14,22,27-28H,1-3H3
InChIKeyUMQCLDOEVKQYNB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.86
Rot. Bonds6

About 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol

7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol (PubChem CID 19233281) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
PubChem CID19233281
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(NC(c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1OC
InChIInChI=1S/C24H23N3O3/c1-15-4-5-16-6-8-19(24(28)23(16)26-15)22(17-10-12-25-13-11-17)27-18-7-9-20(29-2)21(14-18)30-3/h4-14,22,27-28H,1-3H3
InChIKeyUMQCLDOEVKQYNB-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'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232901
7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 15993745
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7045638
7-[(R)-(4-methoxy-3-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 6980594
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[(R)-(3-chloro-4,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1303334
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19233228
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol (CID 19233281) is 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol is COc1ccc(NC(c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1OC.
What is the InChIKey of 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol?
The InChIKey is UMQCLDOEVKQYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-4-5-16-6-8-19(24(28)23(16)26-15)22(17-10-12-25-13-11-17)27-18-7-9-20(29-2)21(14-18)30-3/h4-14,22,27-28H,1-3H3.
What are the key properties of 7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol?
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-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-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19233281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).