ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate

C20H28N4O3S — CID 1072534

IUPACethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3
InChIInChI=1S/C20H28N4O3S/c1-5-27-19(25)16-15(21)14-12-10-20(2,3)23(4)11-13(12)17(22-18(14)28-16)24-6-8-26-9-7-24/h5-11,21H2,1-4H3
InChIKeyCPCSUYJJFHVSJK-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.66
Rot. Bonds3

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

ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate (PubChem CID 1072534) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
PubChem CID1072534
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Nameethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3
InChIInChI=1S/C20H28N4O3S/c1-5-27-19(25)16-15(21)14-12-10-20(2,3)23(4)11-13(12)17(22-18(14)28-16)24-6-8-26-9-7-24/h5-11,21H2,1-4H3
InChIKeyCPCSUYJJFHVSJK-UHFFFAOYSA-N
XLogP2.66
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate (CID 1072534) is ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate is CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3.
What is the InChIKey of ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The InChIKey is CPCSUYJJFHVSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-5-27-19(25)16-15(21)14-12-10-20(2,3)23(4)11-13(12)17(22-18(14)28-16)24-6-8-26-9-7-24/h5-11,21H2,1-4H3.
What are the key properties of ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate?
ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate has a molecular weight of 404.54 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 1072534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).