6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane

C25H25N3O5 — CID 143892681

IUPAC6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)oc2cc(Oc3c(C#N)cnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C23H19N3O5.C2H6/c1-12-21(23(27)25-2)15-6-5-14(7-18(15)30-12)31-22-13(10-24)11-26-17-9-20(29-4)19(28-3)8-16(17)22;1-2/h5-9,11H,1-4H3,(H,25,27);1-2H3
InChIKeyOGHOEIAYQKVJDW-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.36
Rot. Bonds5

About 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane

6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane (PubChem CID 143892681) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane.

Molecular Properties

Compound Name6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
PubChem CID143892681
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)oc2cc(Oc3c(C#N)cnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C23H19N3O5.C2H6/c1-12-21(23(27)25-2)15-6-5-14(7-18(15)30-12)31-22-13(10-24)11-26-17-9-20(29-4)19(28-3)8-16(17)22;1-2/h5-9,11H,1-4H3,(H,25,27);1-2H3
InChIKeyOGHOEIAYQKVJDW-UHFFFAOYSA-N
XLogP5.36
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane with MolForge

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Related Compounds

6-(7-hydroxy-6-methoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172990449
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
6-[7-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 46175197
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114801
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 66619047
4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide
CID 172515919
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 11418728
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline-3-carbonitrile
CID 69294993
6-fluoro-7-methoxy-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
CID 157040759

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane?
The IUPAC name of 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane (CID 143892681) is 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane.
What is the SMILES notation for 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane?
The canonical SMILES for 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane is CC.CNC(=O)c1c(C)oc2cc(Oc3c(C#N)cnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane?
The InChIKey is OGHOEIAYQKVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5.C2H6/c1-12-21(23(27)25-2)15-6-5-14(7-18(15)30-12)31-22-13(10-24)11-26-17-9-20(29-4)19(28-3)8-16(17)22;1-2/h5-9,11H,1-4H3,(H,25,27);1-2H3.
What are the key properties of 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane?
6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane has a molecular weight of 447.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane is sourced from PubChem (CID 143892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).