7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C22H17Cl2N3O — CID 2895120

IUPAC7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H17Cl2N3O/c1-13-8-10-25-19(11-13)27-21(16-7-5-15(23)12-18(16)24)17-6-4-14-3-2-9-26-20(14)22(17)28/h2-12,21,28H,1H3,(H,25,27)
InChIKeyGWIRXRRJIZAMRH-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.15
Rot. Bonds4

About 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2895120) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2895120
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H17Cl2N3O/c1-13-8-10-25-19(11-13)27-21(16-7-5-15(23)12-18(16)24)17-6-4-14-3-2-9-26-20(14)22(17)28/h2-12,21,28H,1H3,(H,25,27)
InChIKeyGWIRXRRJIZAMRH-UHFFFAOYSA-N
XLogP6.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-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

GNF-Pf-3257
CID 2876611
Mls1547
CID 1093278
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-isobutyramide
CID 2920814
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 3136121
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(4-Chloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 2871851
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-butyramide
CID 2921215
N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 2922048
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
7-[(4-Chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
CID 3361499
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212
2-Methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3651915

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2895120) is 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccnc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is GWIRXRRJIZAMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-13-8-10-25-19(11-13)27-21(16-7-5-15(23)12-18(16)24)17-6-4-14-3-2-9-26-20(14)22(17)28/h2-12,21,28H,1H3,(H,25,27).
What are the key properties of 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 410.30 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2895120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).