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

C18H24N4O3S — CID 1071980

IUPACethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3
InChIInChI=1S/C18H24N4O3S/c1-3-25-18(23)15-14(19)13-11-4-5-21(2)10-12(11)16(20-17(13)26-15)22-6-8-24-9-7-22/h3-10,19H2,1-2H3
InChIKeyKNHOPBCHCYHPGW-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.88
Rot. Bonds3

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

ethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate (PubChem CID 1071980) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
PubChem CID1071980
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nameethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3
InChIInChI=1S/C18H24N4O3S/c1-3-25-18(23)15-14(19)13-11-4-5-21(2)10-12(11)16(20-17(13)26-15)22-6-8-24-9-7-22/h3-10,19H2,1-2H3
InChIKeyKNHOPBCHCYHPGW-UHFFFAOYSA-N
XLogP1.88
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 630406
1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1097656
1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester
CID 658121
2,2,10-Trimethyl-5-morpholin-4-yl-8-phenyl-1,4-dihydro-2H-3-oxa-7-thia-6,11-diaza-benzo[c]fluorene-9-carboxylic acid
CID 1831123
1-amino-8,8-dimethyl-5-morpholino-N-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3722012
1-amino-N,N-dibutyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3785801
15-Ethyl-4,4-dimethyl-8-morpholin-4-yl-5,14-dioxa-11-thia-9,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 658553
ethyl 1-amino-5-morpholino-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
CID 662100
Methyl 1-amino-5-(piperidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 915749
Ethyl 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
CID 1072534
(3-Amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone
CID 1090716
ethyl 1-amino-8,8-dimethyl-5-(1-pyrrolidinyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
CID 1387525

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-7-methyl-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-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate (CID 1071980) is ethyl 1-amino-7-methyl-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-methyl-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-methyl-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(C)C3.
What is the InChIKey of ethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
The InChIKey is KNHOPBCHCYHPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-25-18(23)15-14(19)13-11-4-5-21(2)10-12(11)16(20-17(13)26-15)22-6-8-24-9-7-22/h3-10,19H2,1-2H3.
What are the key properties of ethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate?
ethyl 1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 1.88, 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-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 1071980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).