(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone

C20H26N4O3S — CID 3721854

IUPAC(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C20H26N4O3S/c21-16-15-13-3-1-2-4-14(13)18(23-5-9-26-10-6-23)22-19(15)28-17(16)20(25)24-7-11-27-12-8-24/h1-12,21H2
InChIKeyGVHWHENAHFDKQZ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.07
Rot. Bonds2

About (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone

(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 3721854) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID3721854
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C20H26N4O3S/c21-16-15-13-3-1-2-4-14(13)18(23-5-9-26-10-6-23)22-19(15)28-17(16)20(25)24-7-11-27-12-8-24/h1-12,21H2
InChIKeyGVHWHENAHFDKQZ-UHFFFAOYSA-N
XLogP2.07
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone (CID 3721854) is (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is GVHWHENAHFDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c21-16-15-13-3-1-2-4-14(13)18(23-5-9-26-10-6-23)22-19(15)28-17(16)20(25)24-7-11-27-12-8-24/h1-12,21H2.
What are the key properties of (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 402.52 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3721854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).