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

C16H20N4O2S — CID 630406

IUPAC1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H20N4O2S/c17-12-11-9-3-1-2-4-10(9)15(20-5-7-22-8-6-20)19-16(11)23-13(12)14(18)21/h1-8,17H2,(H2,18,21)
InChIKeyRWCWERCUGVLRID-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.69
Rot. Bonds2

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

1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 630406) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID630406
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H20N4O2S/c17-12-11-9-3-1-2-4-10(9)15(20-5-7-22-8-6-20)19-16(11)23-13(12)14(18)21/h1-8,17H2,(H2,18,21)
InChIKeyRWCWERCUGVLRID-UHFFFAOYSA-N
XLogP1.69
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.69
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-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 630406) is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is RWCWERCUGVLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-12-11-9-3-1-2-4-10(9)15(20-5-7-22-8-6-20)19-16(11)23-13(12)14(18)21/h1-8,17H2,(H2,18,21).
What are the key properties of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.69, 2 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-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).