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

C20H28N4O2S — CID 2989254

IUPAC1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C20H28N4O2S/c1-3-23(4-2)20(25)17-16(21)15-13-7-5-6-8-14(13)18(22-19(15)27-17)24-9-11-26-12-10-24/h3-12,21H2,1-2H3
InChIKeyDZESWQADJGZDFL-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.08
Rot. Bonds4

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

1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 2989254) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID2989254
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C20H28N4O2S/c1-3-23(4-2)20(25)17-16(21)15-13-7-5-6-8-14(13)18(22-19(15)27-17)24-9-11-26-12-10-24/h3-12,21H2,1-2H3
InChIKeyDZESWQADJGZDFL-UHFFFAOYSA-N
XLogP3.08
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 2989254) is 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is CCN(CC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is DZESWQADJGZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-23(4-2)20(25)17-16(21)15-13-7-5-6-8-14(13)18(22-19(15)27-17)24-9-11-26-12-10-24/h3-12,21H2,1-2H3.
What are the key properties of 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 2989254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).