N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide

C26H23ClN2O3 — CID 22403855

IUPACN-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide
SMILESCc1cc(C)c2ncc(NC(=O)CCc3cccc(O)c3O)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C26H23ClN2O3/c1-15-12-16(2)25-19(13-15)24(18-7-3-4-8-20(18)27)21(14-28-25)29-23(31)11-10-17-6-5-9-22(30)26(17)32/h3-9,12-14,30,32H,10-11H2,1-2H3,(H,29,31)
InChIKeyGGYYWYMPNNHOMM-UHFFFAOYSA-N
MW446.93 g/mol
LogP6.15
Rot. Bonds5

About N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide

N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide (PubChem CID 22403855) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide
PubChem CID22403855
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC NameN-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide
SMILESCc1cc(C)c2ncc(NC(=O)CCc3cccc(O)c3O)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C26H23ClN2O3/c1-15-12-16(2)25-19(13-15)24(18-7-3-4-8-20(18)27)21(14-28-25)29-23(31)11-10-17-6-5-9-22(30)26(17)32/h3-9,12-14,30,32H,10-11H2,1-2H3,(H,29,31)
InChIKeyGGYYWYMPNNHOMM-UHFFFAOYSA-N
XLogP6.15
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide 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

1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]urea
CID 15035167
1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)urea
CID 15035155
N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide;ethanol
CID 160780582
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 16600031
3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide
CID 86607813
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
CID 67786930
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 38912265
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide (CID 22403855) is N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide is Cc1cc(C)c2ncc(NC(=O)CCc3cccc(O)c3O)c(-c3ccccc3Cl)c2c1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide?
The InChIKey is GGYYWYMPNNHOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-15-12-16(2)25-19(13-15)24(18-7-3-4-8-20(18)27)21(14-28-25)29-23(31)11-10-17-6-5-9-22(30)26(17)32/h3-9,12-14,30,32H,10-11H2,1-2H3,(H,29,31).
What are the key properties of N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide?
N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide has a molecular weight of 446.93 g/mol, XLogP of 6.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(2,3-dihydroxyphenyl)propanamide is sourced from PubChem (CID 22403855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).