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

C22H24N4O2S — CID 5131115

IUPAC1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C22H24N4O2S/c23-18-17-15-8-4-5-9-16(15)20(26-10-12-28-13-11-26)25-22(17)29-19(18)21(27)24-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,23H2,(H,24,27)
InChIKeyOGARRRKHLUUCNE-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.85
Rot. Bonds3

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

1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 5131115) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID5131115
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C22H24N4O2S/c23-18-17-15-8-4-5-9-16(15)20(26-10-12-28-13-11-26)25-22(17)29-19(18)21(27)24-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,23H2,(H,24,27)
InChIKeyOGARRRKHLUUCNE-UHFFFAOYSA-N
XLogP3.85
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.85
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-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 5131115) is 1-amino-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-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Nc1c(C(=O)Nc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is OGARRRKHLUUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c23-18-17-15-8-4-5-9-16(15)20(26-10-12-28-13-11-26)25-22(17)29-19(18)21(27)24-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,23H2,(H,24,27).
What are the key properties of 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.85, 3 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-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 5131115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).