methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate

C19H23N5O4 — CID 66504553

IUPACmethyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
SMILESCOC(=O)c1c(C)nn2c1ncc1c(=O)n(CCCN3CCOCC3)ccc12
InChIInChI=1S/C19H23N5O4/c1-13-16(19(26)27-2)17-20-12-14-15(24(17)21-13)4-7-23(18(14)25)6-3-5-22-8-10-28-11-9-22/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeyBYMVDKHYGCUGIW-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.86
Rot. Bonds5

About methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate

methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate (PubChem CID 66504553) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
PubChem CID66504553
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Namemethyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
SMILESCOC(=O)c1c(C)nn2c1ncc1c(=O)n(CCCN3CCOCC3)ccc12
InChIInChI=1S/C19H23N5O4/c1-13-16(19(26)27-2)17-20-12-14-15(24(17)21-13)4-7-23(18(14)25)6-3-5-22-8-10-28-11-9-22/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeyBYMVDKHYGCUGIW-UHFFFAOYSA-N
XLogP0.86
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 11-hydroxy-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66490336
11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17190814
2-(5-methoxycarbonyl-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)propanoic acid
CID 66505754
methyl 11-(4-ethoxyphenyl)-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 56920434
4-methyl-11-(2-piperidin-1-ylethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17198719
methyl 4-methyl-11-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504507
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994
4-ethyl-11-(3-morpholin-4-ylpropyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66505527
N-[4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24618274
methyl 2-(2-methylphenyl)-5-(3-morpholin-4-ylpropyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496198
methyl 5-methyl-2-(2-morpholin-4-ylethyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565513

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate?
The IUPAC name of methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate (CID 66504553) is methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate?
The canonical SMILES for methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate is COC(=O)c1c(C)nn2c1ncc1c(=O)n(CCCN3CCOCC3)ccc12.
What is the InChIKey of methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate?
The InChIKey is BYMVDKHYGCUGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-16(19(26)27-2)17-20-12-14-15(24(17)21-13)4-7-23(18(14)25)6-3-5-22-8-10-28-11-9-22/h4,7,12H,3,5-6,8-11H2,1-2H3.
What are the key properties of methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate?
methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate is sourced from PubChem (CID 66504553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).