4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide

C24H21N3O6 — CID 134333903

IUPAC4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O
InChIInChI=1S/C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyQXFRNKCFCSORLL-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.09
Rot. Bonds5

About 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide

4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 134333903) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
PubChem CID134333903
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O
InChIInChI=1S/C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyQXFRNKCFCSORLL-UHFFFAOYSA-N
XLogP3.09
TPSA128.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide)
CID 160847591
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[3-chloro-4-[(3-fluoroazetidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333789
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[4-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyrazol-3-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 171349012

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide (CID 134333903) is 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.
What is the InChIKey of 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is QXFRNKCFCSORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29).
What are the key properties of 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide?
4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 134333903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).