methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate

C26H20Cl2N2O4 — CID 139782616

IUPACmethyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cc1
InChIInChI=1S/C26H20Cl2N2O4/c1-15-13-29-23-18(24(15)34-14-16-9-11-17(12-10-16)26(32)33-2)5-3-8-21(23)30-25(31)22-19(27)6-4-7-20(22)28/h3-13H,14H2,1-2H3,(H,30,31)
InChIKeyVVRPDPYPOPDUGV-UHFFFAOYSA-N
MW495.36 g/mol
LogP6.47
Rot. Bonds6

About methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate

methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate (PubChem CID 139782616) has the molecular formula C26H20Cl2N2O4 and a molecular weight of 495.36 g/mol. Its IUPAC name is methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
PubChem CID139782616
Molecular FormulaC26H20Cl2N2O4
Molecular Weight495.36 g/mol
Exact Mass494.08
IUPAC Namemethyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cc1
InChIInChI=1S/C26H20Cl2N2O4/c1-15-13-29-23-18(24(15)34-14-16-9-11-17(12-10-16)26(32)33-2)5-3-8-21(23)30-25(31)22-19(27)6-4-7-20(22)28/h3-13H,14H2,1-2H3,(H,30,31)
InChIKeyVVRPDPYPOPDUGV-UHFFFAOYSA-N
XLogP6.47
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.36
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate with MolForge

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Related Compounds

2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
CID 139782497
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate (CID 139782616) is methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate is COC(=O)c1ccc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cc1.
What is the InChIKey of methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate?
The InChIKey is VVRPDPYPOPDUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O4/c1-15-13-29-23-18(24(15)34-14-16-9-11-17(12-10-16)26(32)33-2)5-3-8-21(23)30-25(31)22-19(27)6-4-7-20(22)28/h3-13H,14H2,1-2H3,(H,30,31).
What are the key properties of methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate?
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate has a molecular weight of 495.36 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate is sourced from PubChem (CID 139782616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).