methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate

C25H20Cl3NO5 — CID 18753038

IUPACmethyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(C2C(=O)N(Cc3ccc(OC)cc3OC)c3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C25H20Cl3NO5/c1-32-16-6-4-14(21(11-16)33-2)12-29-23-18(9-15(26)10-20(23)28)22(24(29)30)17-8-13(25(31)34-3)5-7-19(17)27/h4-11,22H,12H2,1-3H3
InChIKeySCCACGAEVBWPCY-UHFFFAOYSA-N
MW520.80 g/mol
LogP6.13
Rot. Bonds6

About methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate

methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate (PubChem CID 18753038) has the molecular formula C25H20Cl3NO5 and a molecular weight of 520.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate
PubChem CID18753038
Molecular FormulaC25H20Cl3NO5
Molecular Weight520.80 g/mol
Exact Mass519.04
IUPAC Namemethyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(C2C(=O)N(Cc3ccc(OC)cc3OC)c3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C25H20Cl3NO5/c1-32-16-6-4-14(21(11-16)33-2)12-29-23-18(9-15(26)10-20(23)28)22(24(29)30)17-8-13(25(31)34-3)5-7-19(17)27/h4-11,22H,12H2,1-3H3
InChIKeySCCACGAEVBWPCY-UHFFFAOYSA-N
XLogP6.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.80
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate 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

ethyl 2-[(3S,5R)-7-chloro-5-(2-chloro-3-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-9-(3-hydroxypropoxy)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate
CID 68919100
ethyl 2-[7-chloro-5-(3-chloro-2-methoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate
CID 68916406
ethyl 6-[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]-5-oxohexanoate
CID 68921465
2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid
CID 68919127
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
CID 18752941
methyl 8-chloro-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydrobenzo[h]quinoline-3-carboxylate
CID 71285182
4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
CID 18753022
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
(5S)-7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-(2-hydroxy-3-methoxyphenyl)-5H-4,1-benzoxazepin-2-one
CID 143456052
2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-(trifluoromethyl)phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid
CID 68919582

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate?
The IUPAC name of methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate (CID 18753038) is methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate is COC(=O)c1ccc(Cl)c(C2C(=O)N(Cc3ccc(OC)cc3OC)c3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate?
The InChIKey is SCCACGAEVBWPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3NO5/c1-32-16-6-4-14(21(11-16)33-2)12-29-23-18(9-15(26)10-20(23)28)22(24(29)30)17-8-13(25(31)34-3)5-7-19(17)27/h4-11,22H,12H2,1-3H3.
What are the key properties of methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate?
methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate has a molecular weight of 520.80 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[5,7-dichloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]benzoate is sourced from PubChem (CID 18753038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).