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

C27H29N3O4S — CID 11431839

IUPAC6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C27H29N3O4S/c1-18-26(27(31)29-9-3-11-30-12-14-33-15-13-30)22-7-5-20(17-25(22)35-18)34-24-8-10-28-23-16-19(32-2)4-6-21(23)24/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H,29,31)
InChIKeyCQTMTEIABLMKEA-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.01
Rot. Bonds8

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

6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide (PubChem CID 11431839) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
PubChem CID11431839
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C27H29N3O4S/c1-18-26(27(31)29-9-3-11-30-12-14-33-15-13-30)22-7-5-20(17-25(22)35-18)34-24-8-10-28-23-16-19(32-2)4-6-21(23)24/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H,29,31)
InChIKeyCQTMTEIABLMKEA-UHFFFAOYSA-N
XLogP5.01
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
CID 20767777
4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 22988091
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]urea
CID 23022711
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861729
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 20767906

Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide (CID 11431839) is 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide is COc1ccc2c(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)sc4c3)ccnc2c1.
What is the InChIKey of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide?
The InChIKey is CQTMTEIABLMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-18-26(27(31)29-9-3-11-30-12-14-33-15-13-30)22-7-5-20(17-25(22)35-18)34-24-8-10-28-23-16-19(32-2)4-6-21(23)24/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H,29,31).
What are the key properties of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide?
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11431839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).