2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide

C27H26FN3O4 — CID 143085595

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide
SMILESCCc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H26FN3O4/c1-4-17-12-20(8-9-22(17)30-16-27(32)31-19-7-5-6-18(28)13-19)35-24-10-11-29-23-15-26(34-3)25(33-2)14-21(23)24/h5-15,30H,4,16H2,1-3H3,(H,31,32)
InChIKeyYXSRDZXOXZTFIH-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.80
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide (PubChem CID 143085595) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide
PubChem CID143085595
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide
SMILESCCc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H26FN3O4/c1-4-17-12-20(8-9-22(17)30-16-27(32)31-19-7-5-6-18(28)13-19)35-24-10-11-29-23-15-26(34-3)25(33-2)14-21(23)24/h5-15,30H,4,16H2,1-3H3,(H,31,32)
InChIKeyYXSRDZXOXZTFIH-UHFFFAOYSA-N
XLogP5.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
CID 134566520
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 61061796
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide (CID 143085595) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide is CCc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is YXSRDZXOXZTFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-4-17-12-20(8-9-22(17)30-16-27(32)31-19-7-5-6-18(28)13-19)35-24-10-11-29-23-15-26(34-3)25(33-2)14-21(23)24/h5-15,30H,4,16H2,1-3H3,(H,31,32).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 475.52 g/mol, XLogP of 5.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-ethylanilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 143085595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).