N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide

C25H24N2O3S — CID 11154715

IUPACN-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC5CCCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C25H24N2O3S/c1-15-24(25(28)27-16-5-3-4-6-16)20-10-8-18(14-23(20)31-15)30-22-11-12-26-21-13-17(29-2)7-9-19(21)22/h7-14,16H,3-6H2,1-2H3,(H,27,28)
InChIKeyPBXJSPWHAUJKSB-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.23
Rot. Bonds5

About N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide

N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 11154715) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID11154715
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC5CCCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C25H24N2O3S/c1-15-24(25(28)27-16-5-3-4-6-16)20-10-8-18(14-23(20)31-15)30-22-11-12-26-21-13-17(29-2)7-9-19(21)22/h7-14,16H,3-6H2,1-2H3,(H,27,28)
InChIKeyPBXJSPWHAUJKSB-UHFFFAOYSA-N
XLogP6.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide (CID 11154715) is N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide is COc1ccc2c(Oc3ccc4c(C(=O)NC5CCCC5)c(C)sc4c3)ccnc2c1.
What is the InChIKey of N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is PBXJSPWHAUJKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-15-24(25(28)27-16-5-3-4-6-16)20-10-8-18(14-23(20)31-15)30-22-11-12-26-21-13-17(29-2)7-9-19(21)22/h7-14,16H,3-6H2,1-2H3,(H,27,28).
What are the key properties of N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).