5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione

C19H25N5O3 — CID 167187020

IUPAC5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
SMILESCCN1C(=O)N2C(=NC(=O)C2C(C)(C)C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C19H25N5O3/c1-5-23-13-10-12(22-6-8-27-9-7-22)11-20-14(13)16-21-17(25)15(19(2,3)4)24(16)18(23)26/h10-11,15H,5-9H2,1-4H3
InChIKeyWBASUDCAZTZHND-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.88
Rot. Bonds2

About 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione

5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione (PubChem CID 167187020) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione.

Molecular Properties

Compound Name5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
PubChem CID167187020
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
SMILESCCN1C(=O)N2C(=NC(=O)C2C(C)(C)C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C19H25N5O3/c1-5-23-13-10-12(22-6-8-27-9-7-22)11-20-14(13)16-21-17(25)15(19(2,3)4)24(16)18(23)26/h10-11,15H,5-9H2,1-4H3
InChIKeyWBASUDCAZTZHND-UHFFFAOYSA-N
XLogP1.88
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione with MolForge

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Related Compounds

8-[(4-methoxyphenyl)methyl]-5-methyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
CID 166705508
8-[(3,5-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146296122
8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146296121
8-[(3,5-dimethoxyphenyl)methyl]-11-morpholin-4-yl-4-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146295991
2-ethoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 137451645
(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173318
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
4-(5-ethyl-3-pyridinyl)morpholine
CID 130219562
6-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10331817
tributyl-(5-morpholin-4-yl-2-pyridinyl)stannane
CID 73357508
tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
CID 164901899
2-[(1-ethylimidazol-2-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 45240872

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione?
The IUPAC name of 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione (CID 167187020) is 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione.
What is the SMILES notation for 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione?
The canonical SMILES for 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione is CCN1C(=O)N2C(=NC(=O)C2C(C)(C)C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione?
The InChIKey is WBASUDCAZTZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-5-23-13-10-12(22-6-8-27-9-7-22)11-20-14(13)16-21-17(25)15(19(2,3)4)24(16)18(23)26/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione?
5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione has a molecular weight of 371.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-8-ethyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione is sourced from PubChem (CID 167187020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).