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

C31H33N3O7 — CID 66619047

IUPAC6-[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
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12
InChIInChI=1S/C31H33N3O7/c1-18-28(29(35)32-2)21-5-4-20(12-25(21)40-18)41-24-6-8-34-23-14-27(26(36-3)13-22(23)24)37-9-7-19-15-30(19)16-33-17-31(30)38-10-11-39-31/h4-6,8,12-14,19,33H,7,9-11,15-17H2,1-3H3,(H,32,35)
InChIKeyVQRLVGJUESTHLO-UHFFFAOYSA-N
MW559.62 g/mol
LogP4.57
Rot. Bonds8

About 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

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 (PubChem CID 66619047) has the molecular formula C31H33N3O7 and a molecular weight of 559.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID66619047
Molecular FormulaC31H33N3O7
Molecular Weight559.62 g/mol
Exact Mass559.23
IUPAC Name6-[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
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12
InChIInChI=1S/C31H33N3O7/c1-18-28(29(35)32-2)21-5-4-20(12-25(21)40-18)41-24-6-8-34-23-14-27(26(36-3)13-22(23)24)37-9-7-19-15-30(19)16-33-17-31(30)38-10-11-39-31/h4-6,8,12-14,19,33H,7,9-11,15-17H2,1-3H3,(H,32,35)
InChIKeyVQRLVGJUESTHLO-UHFFFAOYSA-N
XLogP4.57
TPSA113.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 11418728
6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
CID 143892681
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
6-(7-hydroxy-6-methoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172990449
6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 46175442
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
6-[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 20767846
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12.
What is the InChIKey of 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?
The InChIKey is VQRLVGJUESTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O7/c1-18-28(29(35)32-2)21-5-4-20(12-25(21)40-18)41-24-6-8-34-23-14-27(26(36-3)13-22(23)24)37-9-7-19-15-30(19)16-33-17-31(30)38-10-11-39-31/h4-6,8,12-14,19,33H,7,9-11,15-17H2,1-3H3,(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 559.62 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66619047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).