ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

C18H23N3O3S — CID 658121

IUPACethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C18H23N3O3S/c1-2-24-18(22)15-14(19)13-11-5-3-4-6-12(11)16(20-17(13)25-15)21-7-9-23-10-8-21/h2-10,19H2,1H3
InChIKeyCPLHVPAYUQAHAW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.77
Rot. Bonds3

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

ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (PubChem CID 658121) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
PubChem CID658121
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nameethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C18H23N3O3S/c1-2-24-18(22)15-14(19)13-11-5-3-4-6-12(11)16(20-17(13)25-15)21-7-9-23-10-8-21/h2-10,19H2,1H3
InChIKeyCPLHVPAYUQAHAW-UHFFFAOYSA-N
XLogP2.77
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The IUPAC name of ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (CID 658121) is ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The canonical SMILES for ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The InChIKey is CPLHVPAYUQAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-24-18(22)15-14(19)13-11-5-3-4-6-12(11)16(20-17(13)25-15)21-7-9-23-10-8-21/h2-10,19H2,1H3.
What are the key properties of ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate has a molecular weight of 361.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is sourced from PubChem (CID 658121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).