methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate

C26H20Cl4N2O2 — CID 24755557

IUPACmethyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C26H20Cl4N2O2/c1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30/h2-12,24,31H,13-14H2,1H3
InChIKeyPWAIQNUMCYWKDB-UHFFFAOYSA-N
MW534.27 g/mol
LogP7.39
Rot. Bonds7

About methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate

methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate (PubChem CID 24755557) has the molecular formula C26H20Cl4N2O2 and a molecular weight of 534.27 g/mol. Its IUPAC name is methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
PubChem CID24755557
Molecular FormulaC26H20Cl4N2O2
Molecular Weight534.27 g/mol
Exact Mass532.03
IUPAC Namemethyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C26H20Cl4N2O2/c1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30/h2-12,24,31H,13-14H2,1H3
InChIKeyPWAIQNUMCYWKDB-UHFFFAOYSA-N
XLogP7.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.27
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate 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

N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine
CID 10052832
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(pyridin-4-yl)quinolin-6-yl]propanoic acid
CID 10389798
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-difluorophenyl)formamido]propanoic acid
CID 10391292
2-{[1-(4-Chlorophenyl)cyclopentyl]formamido}-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 10393176
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-dimethylphenyl)formamido]propanoic acid
CID 10435784
3-[2-(2-Chloro-6-fluorophenyl)quinolin-6-yl]-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 10436625
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,4-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 23647525
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-difluorophenyl)quinolin-6-yl]propanoic acid
CID 23647526
3-[2-(2-Chloro-6-nitrophenyl)quinolin-6-yl]-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 23647528
3-[2-(2-Bromophenyl)quinolin-6-yl]-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 23647530
3-{2-[2-Chloro-5-(trifluoromethyl)phenyl]quinolin-6-yl}-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 23647534
2-[(2,4-Dichloro-6-methylpyridin-3-yl)formamido]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 23647535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The IUPAC name of methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate (CID 24755557) is methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate.
What is the SMILES notation for methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The canonical SMILES for methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate is COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The InChIKey is PWAIQNUMCYWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl4N2O2/c1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30/h2-12,24,31H,13-14H2,1H3.
What are the key properties of methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate has a molecular weight of 534.27 g/mol, XLogP of 7.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate is sourced from PubChem (CID 24755557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).