1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

C24H28N4O4S — CID 3735836

IUPAC1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)c(OC)c1
InChIInChI=1S/C24H28N4O4S/c1-30-14-7-8-17(18(13-14)31-2)26-23(29)21-20(25)19-15-5-3-4-6-16(15)22(27-24(19)33-21)28-9-11-32-12-10-28/h7-8,13H,3-6,9-12,25H2,1-2H3,(H,26,29)
InChIKeyNPZKPNWHQNBBEX-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.86
Rot. Bonds5

About 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 3735836) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID3735836
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)c(OC)c1
InChIInChI=1S/C24H28N4O4S/c1-30-14-7-8-17(18(13-14)31-2)26-23(29)21-20(25)19-15-5-3-4-6-16(15)22(27-24(19)33-21)28-9-11-32-12-10-28/h7-8,13H,3-6,9-12,25H2,1-2H3,(H,26,29)
InChIKeyNPZKPNWHQNBBEX-UHFFFAOYSA-N
XLogP3.86
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-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

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 3735836) is 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)c(OC)c1.
What is the InChIKey of 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is NPZKPNWHQNBBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-30-14-7-8-17(18(13-14)31-2)26-23(29)21-20(25)19-15-5-3-4-6-16(15)22(27-24(19)33-21)28-9-11-32-12-10-28/h7-8,13H,3-6,9-12,25H2,1-2H3,(H,26,29).
What are the key properties of 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dimethoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 3735836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).