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

C24H36N4O2S — CID 3785801

IUPAC1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C24H36N4O2S/c1-3-5-11-28(12-6-4-2)24(29)21-20(25)19-17-9-7-8-10-18(17)22(26-23(19)31-21)27-13-15-30-16-14-27/h3-16,25H2,1-2H3
InChIKeyHGDPQONFDLAIJD-UHFFFAOYSA-N
MW444.65 g/mol
LogP4.64
Rot. Bonds8

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

1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 3785801) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID3785801
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C24H36N4O2S/c1-3-5-11-28(12-6-4-2)24(29)21-20(25)19-17-9-7-8-10-18(17)22(26-23(19)31-21)27-13-15-30-16-14-27/h3-16,25H2,1-2H3
InChIKeyHGDPQONFDLAIJD-UHFFFAOYSA-N
XLogP4.64
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 54.64
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-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 3785801) is 1-amino-N,N-dibutyl-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-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is CCCCN(CCCC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is HGDPQONFDLAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-3-5-11-28(12-6-4-2)24(29)21-20(25)19-17-9-7-8-10-18(17)22(26-23(19)31-21)27-13-15-30-16-14-27/h3-16,25H2,1-2H3.
What are the key properties of 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 444.65 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-dibutyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 3785801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).