5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C26H23N3O3S — CID 87686220

IUPAC5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=Cc1ccc2nccc(-c3ccc(C(=O)Nc4cccc(CN5CCOCC5)c4)s3)c2c1
InChIInChI=1S/C26H23N3O3S/c30-17-19-4-5-23-22(15-19)21(8-9-27-23)24-6-7-25(33-24)26(31)28-20-3-1-2-18(14-20)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2,(H,28,31)
InChIKeyHVSIDZFJJJIWCI-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.86
Rot. Bonds6

About 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide

5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 87686220) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID87686220
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=Cc1ccc2nccc(-c3ccc(C(=O)Nc4cccc(CN5CCOCC5)c4)s3)c2c1
InChIInChI=1S/C26H23N3O3S/c30-17-19-4-5-23-22(15-19)21(8-9-27-23)24-6-7-25(33-24)26(31)28-20-3-1-2-18(14-20)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2,(H,28,31)
InChIKeyHVSIDZFJJJIWCI-UHFFFAOYSA-N
XLogP4.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501220
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19469497
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 174753942
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167900333
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575

Frequently Asked Questions

What is the IUPAC name of 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 87686220) is 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is O=Cc1ccc2nccc(-c3ccc(C(=O)Nc4cccc(CN5CCOCC5)c4)s3)c2c1.
What is the InChIKey of 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HVSIDZFJJJIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-17-19-4-5-23-22(15-19)21(8-9-27-23)24-6-7-25(33-24)26(31)28-20-3-1-2-18(14-20)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2,(H,28,31).
What are the key properties of 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-formylquinolin-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 87686220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).