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

C16H18N4OS — CID 687349

IUPAC1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile
SMILESN#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H18N4OS/c17-9-12-14(18)13-10-3-1-2-4-11(10)15(19-16(13)22-12)20-5-7-21-8-6-20/h1-8,18H2
InChIKeyGZAXGZGXVBYGQK-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.47
Rot. Bonds1

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

1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile (PubChem CID 687349) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile
PubChem CID687349
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile
SMILESN#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H18N4OS/c17-9-12-14(18)13-10-3-1-2-4-11(10)15(19-16(13)22-12)20-5-7-21-8-6-20/h1-8,18H2
InChIKeyGZAXGZGXVBYGQK-UHFFFAOYSA-N
XLogP2.47
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
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-carbonitrile?
The IUPAC name of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile (CID 687349) is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile.
What is the SMILES notation for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile?
The canonical SMILES for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile is N#Cc1sc2nc(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-carbonitrile?
The InChIKey is GZAXGZGXVBYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c17-9-12-14(18)13-10-3-1-2-4-11(10)15(19-16(13)22-12)20-5-7-21-8-6-20/h1-8,18H2.
What are the key properties of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile?
1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile has a molecular weight of 314.41 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 687349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).