ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate

C20H18ClN3O6 — CID 11177946

IUPACethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1
InChIInChI=1S/C20H18ClN3O6/c1-4-29-20(26)18(25)24-11-7-13(21)19(23-10-11)30-15-5-6-22-14-9-17(28-3)16(27-2)8-12(14)15/h5-10H,4H2,1-3H3,(H,24,25)
InChIKeyCFDWHWDHOAYIHA-UHFFFAOYSA-N
MW431.83 g/mol
LogP3.59
Rot. Bonds6

About ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate

ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate (PubChem CID 11177946) has the molecular formula C20H18ClN3O6 and a molecular weight of 431.83 g/mol. Its IUPAC name is ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
PubChem CID11177946
Molecular FormulaC20H18ClN3O6
Molecular Weight431.83 g/mol
Exact Mass431.09
IUPAC Nameethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1
InChIInChI=1S/C20H18ClN3O6/c1-4-29-20(26)18(25)24-11-7-13(21)19(23-10-11)30-15-5-6-22-14-9-17(28-3)16(27-2)8-12(14)15/h5-10H,4H2,1-3H3,(H,24,25)
InChIKeyCFDWHWDHOAYIHA-UHFFFAOYSA-N
XLogP3.59
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
N-(3-chlorocyclohexa-2,4-dien-1-yl)-N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanediamide
CID 134566477
N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
CID 134566520
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]-2-oxoacetate
CID 155671428
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-N'-(4-fluorophenyl)-N-methylpropanediamide
CID 135350244
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
1-N'-[5-chloro-6-[6-methoxy-7-(methylamino)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443866
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57396541
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate (CID 11177946) is ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cnc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1.
What is the InChIKey of ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate?
The InChIKey is CFDWHWDHOAYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O6/c1-4-29-20(26)18(25)24-11-7-13(21)19(23-10-11)30-15-5-6-22-14-9-17(28-3)16(27-2)8-12(14)15/h5-10H,4H2,1-3H3,(H,24,25).
What are the key properties of ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate?
ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate has a molecular weight of 431.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 11177946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).