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

C23H26N4O2S — CID 3332484

IUPAC1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1
InChIInChI=1S/C23H26N4O2S/c1-14-6-8-15(9-7-14)25-22(28)20-19(24)18-16-4-2-3-5-17(16)21(26-23(18)30-20)27-10-12-29-13-11-27/h6-9H,2-5,10-13,24H2,1H3,(H,25,28)
InChIKeySYMFYQFDCBYPFQ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.15
Rot. Bonds3

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

1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 3332484) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID3332484
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1
InChIInChI=1S/C23H26N4O2S/c1-14-6-8-15(9-7-14)25-22(28)20-19(24)18-16-4-2-3-5-17(16)21(26-23(18)30-20)27-10-12-29-13-11-27/h6-9H,2-5,10-13,24H2,1H3,(H,25,28)
InChIKeySYMFYQFDCBYPFQ-UHFFFAOYSA-N
XLogP4.15
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 3332484) is 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1.
What is the InChIKey of 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is SYMFYQFDCBYPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-14-6-8-15(9-7-14)25-22(28)20-19(24)18-16-4-2-3-5-17(16)21(26-23(18)30-20)27-10-12-29-13-11-27/h6-9H,2-5,10-13,24H2,1H3,(H,25,28).
What are the key properties of 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 3332484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).