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

C24H28N4O2S — CID 1258323

IUPAC1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C24H28N4O2S/c25-20-19-17-8-4-5-9-18(17)22(28-12-14-30-15-13-28)27-24(19)31-21(20)23(29)26-11-10-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,25H2,(H,26,29)
InChIKeyHYSUGLKSRZLJMF-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.57
Rot. Bonds5

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

1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 1258323) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID1258323
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C24H28N4O2S/c25-20-19-17-8-4-5-9-18(17)22(28-12-14-30-15-13-28)27-24(19)31-21(20)23(29)26-11-10-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,25H2,(H,26,29)
InChIKeyHYSUGLKSRZLJMF-UHFFFAOYSA-N
XLogP3.57
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 1258323) is 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Nc1c(C(=O)NCCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is HYSUGLKSRZLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c25-20-19-17-8-4-5-9-18(17)22(28-12-14-30-15-13-28)27-24(19)31-21(20)23(29)26-11-10-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,25H2,(H,26,29).
What are the key properties of 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-morpholin-4-yl-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 1258323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).