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

C24H26N4O3S — CID 3323389

IUPACN-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1
InChIInChI=1S/C24H26N4O3S/c1-14(29)15-6-8-16(9-7-15)26-23(30)21-20(25)19-17-4-2-3-5-18(17)22(27-24(19)32-21)28-10-12-31-13-11-28/h6-9H,2-5,10-13,25H2,1H3,(H,26,30)
InChIKeyPNLTWQIDFDSEPD-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.05
Rot. Bonds4

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

N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 3323389) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID3323389
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1
InChIInChI=1S/C24H26N4O3S/c1-14(29)15-6-8-16(9-7-15)26-23(30)21-20(25)19-17-4-2-3-5-18(17)22(27-24(19)32-21)28-10-12-31-13-11-28/h6-9H,2-5,10-13,25H2,1H3,(H,26,30)
InChIKeyPNLTWQIDFDSEPD-UHFFFAOYSA-N
XLogP4.05
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 3323389) is N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is CC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is PNLTWQIDFDSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-14(29)15-6-8-16(9-7-15)26-23(30)21-20(25)19-17-4-2-3-5-18(17)22(27-24(19)32-21)28-10-12-31-13-11-28/h6-9H,2-5,10-13,25H2,1H3,(H,26,30).
What are the key properties of N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 3323389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).