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

C20H23N3O4S — CID 658553

IUPAC15-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
SMILESCCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1
InChIInChI=1S/C20H23N3O4S/c1-4-13-21-15-14-11-9-20(2,3)26-10-12(11)17(23-5-7-25-8-6-23)22-18(14)28-16(15)19(24)27-13/h4-10H2,1-3H3
InChIKeyFCNZBHJWGLPLCP-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.05
Rot. Bonds2

About 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

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 (PubChem CID 658553) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID658553
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name15-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
SMILESCCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1
InChIInChI=1S/C20H23N3O4S/c1-4-13-21-15-14-11-9-20(2,3)26-10-12(11)17(23-5-7-25-8-6-23)22-18(14)28-16(15)19(24)27-13/h4-10H2,1-3H3
InChIKeyFCNZBHJWGLPLCP-UHFFFAOYSA-N
XLogP3.05
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1097656
Ethyl 1-amino-7-methyl-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
CID 1071980
2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one
CID 753338
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
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-8,8-dimethyl-5-propyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
CID 919606
Ethyl 1-amino-5-isopropyl-8,8-dimethyl-8,9-dihydro-6H-pyrano[4,3-D]thieno[2,3-B]pyridine-2-carboxylate
CID 921516
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1.
What is the InChIKey of 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?
The InChIKey is FCNZBHJWGLPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-13-21-15-14-11-9-20(2,3)26-10-12(11)17(23-5-7-25-8-6-23)22-18(14)28-16(15)19(24)27-13/h4-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 401.49 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 658553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).