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

C23H26N4O3S — CID 4594243

IUPAC1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C23H26N4O3S/c1-29-17-9-5-4-8-16(17)25-22(28)20-19(24)18-14-6-2-3-7-15(14)21(26-23(18)31-20)27-10-12-30-13-11-27/h4-5,8-9H,2-3,6-7,10-13,24H2,1H3,(H,25,28)
InChIKeyVACKVZJJHIIAAQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.85
Rot. Bonds4

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

1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 4594243) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID4594243
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C23H26N4O3S/c1-29-17-9-5-4-8-16(17)25-22(28)20-19(24)18-14-6-2-3-7-15(14)21(26-23(18)31-20)27-10-12-30-13-11-27/h4-5,8-9H,2-3,6-7,10-13,24H2,1H3,(H,25,28)
InChIKeyVACKVZJJHIIAAQ-UHFFFAOYSA-N
XLogP3.85
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 4594243) is 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is COc1ccccc1NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is VACKVZJJHIIAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-29-17-9-5-4-8-16(17)25-22(28)20-19(24)18-14-6-2-3-7-15(14)21(26-23(18)31-20)27-10-12-30-13-11-27/h4-5,8-9H,2-3,6-7,10-13,24H2,1H3,(H,25,28).
What are the key properties of 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 4594243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).