ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate

C24H28N4O3S — CID 1387000

IUPACethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3
InChIInChI=1S/C24H28N4O3S/c1-2-31-24(29)21-20(25)19-17-8-9-27(14-16-6-4-3-5-7-16)15-18(17)22(26-23(19)32-21)28-10-12-30-13-11-28/h3-7H,2,8-15,25H2,1H3
InChIKeyZZTPTGRWOLNZRJ-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.45
Rot. Bonds5

About ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate

ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate (PubChem CID 1387000) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
PubChem CID1387000
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Nameethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3
InChIInChI=1S/C24H28N4O3S/c1-2-31-24(29)21-20(25)19-17-8-9-27(14-16-6-4-3-5-7-16)15-18(17)22(26-23(19)32-21)28-10-12-30-13-11-28/h3-7H,2,8-15,25H2,1H3
InChIKeyZZTPTGRWOLNZRJ-UHFFFAOYSA-N
XLogP3.45
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.45
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-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate (CID 1387000) is ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate is CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3.
What is the InChIKey of ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The InChIKey is ZZTPTGRWOLNZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-2-31-24(29)21-20(25)19-17-8-9-27(14-16-6-4-3-5-7-16)15-18(17)22(26-23(19)32-21)28-10-12-30-13-11-28/h3-7H,2,8-15,25H2,1H3.
What are the key properties of ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate has a molecular weight of 452.58 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-7-benzyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 1387000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).