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

C23H26N4O2S — CID 3783816

IUPAC1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCN(C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-26(15-7-3-2-4-8-15)23(28)20-19(24)18-16-9-5-6-10-17(16)21(25-22(18)30-20)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,24H2,1H3
InChIKeyCQGCFJFNPWNIKV-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.87
Rot. Bonds3

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

1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 3783816) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID3783816
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCN(C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-26(15-7-3-2-4-8-15)23(28)20-19(24)18-16-9-5-6-10-17(16)21(25-22(18)30-20)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,24H2,1H3
InChIKeyCQGCFJFNPWNIKV-UHFFFAOYSA-N
XLogP3.87
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-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-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 3783816) is 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is CN(C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3)c1ccccc1.
What is the InChIKey of 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is CQGCFJFNPWNIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26(15-7-3-2-4-8-15)23(28)20-19(24)18-16-9-5-6-10-17(16)21(25-22(18)30-20)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,24H2,1H3.
What are the key properties of 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 3783816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).