6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine

C44H52N6O5S2 — CID 157236232

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NCCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1.NCCCN1CCOCC1
InChIInChI=1S/C22H25N3O2S.C15H11NO2S.C7H16N2O/c1-16-5-6-19-17(14-16)18(15-20(24-19)21-4-2-13-28-21)22(26)23-7-3-8-25-9-11-27-12-10-25;1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14;8-2-1-3-9-4-6-10-7-5-9/h2,4-6,13-15H,3,7-12H2,1H3,(H,23,26);2-8H,1H3,(H,17,18);1-8H2
InChIKeyAURAPIJDWZNBPD-UHFFFAOYSA-N
MW809.07 g/mol
LogP7.36
Rot. Bonds11

About 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine

6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine (PubChem CID 157236232) has the molecular formula C44H52N6O5S2 and a molecular weight of 809.07 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine
PubChem CID157236232
Molecular FormulaC44H52N6O5S2
Molecular Weight809.07 g/mol
Exact Mass808.34
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NCCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1.NCCCN1CCOCC1
InChIInChI=1S/C22H25N3O2S.C15H11NO2S.C7H16N2O/c1-16-5-6-19-17(14-16)18(15-20(24-19)21-4-2-13-28-21)22(26)23-7-3-8-25-9-11-27-12-10-25;1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14;8-2-1-3-9-4-6-10-7-5-9/h2,4-6,13-15H,3,7-12H2,1H3,(H,23,26);2-8H,1H3,(H,17,18);1-8H2
InChIKeyAURAPIJDWZNBPD-UHFFFAOYSA-N
XLogP7.36
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.07
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine (CID 157236232) is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine is Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCCN3CCOCC3)c2c1.Cc1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1.NCCCN1CCOCC1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine?
The InChIKey is AURAPIJDWZNBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S.C15H11NO2S.C7H16N2O/c1-16-5-6-19-17(14-16)18(15-20(24-19)21-4-2-13-28-21)22(26)23-7-3-8-25-9-11-27-12-10-25;1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14;8-2-1-3-9-4-6-10-7-5-9/h2,4-6,13-15H,3,7-12H2,1H3,(H,23,26);2-8H,1H3,(H,17,18);1-8H2.
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine?
6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine has a molecular weight of 809.07 g/mol, XLogP of 7.36, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide;6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid;3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 157236232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).