methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate

C26H22N2O6 — CID 22132633

IUPACmethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C26H22N2O6/c1-31-23-14-20-21(15-24(23)32-2)27-13-12-22(20)34-19-10-8-18(9-11-19)28-25(29)16-4-6-17(7-5-16)26(30)33-3/h4-15H,1-3H3,(H,28,29)
InChIKeyXZNGZGVYVGFNPD-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.08
Rot. Bonds7

About methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate

methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate (PubChem CID 22132633) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
PubChem CID22132633
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Namemethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C26H22N2O6/c1-31-23-14-20-21(15-24(23)32-2)27-13-12-22(20)34-19-10-8-18(9-11-19)28-25(29)16-4-6-17(7-5-16)26(30)33-3/h4-15H,1-3H3,(H,28,29)
InChIKeyXZNGZGVYVGFNPD-UHFFFAOYSA-N
XLogP5.08
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
2-amino-4-[4-[4-[(4-fluorobenzoyl)amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265246
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate (CID 22132633) is methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate?
The InChIKey is XZNGZGVYVGFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c1-31-23-14-20-21(15-24(23)32-2)27-13-12-22(20)34-19-10-8-18(9-11-19)28-25(29)16-4-6-17(7-5-16)26(30)33-3/h4-15H,1-3H3,(H,28,29).
What are the key properties of methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate?
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate has a molecular weight of 458.47 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate is sourced from PubChem (CID 22132633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).