ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate

C15H13N5O2 — CID 11358368

IUPACethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
SMILESCCOC(=O)c1c(C)nc2n1nc1c3ccccc3ncn12
InChIInChI=1S/C15H13N5O2/c1-3-22-14(21)12-9(2)17-15-19-8-16-11-7-5-4-6-10(11)13(19)18-20(12)15/h4-8H,3H2,1-2H3
InChIKeyOFGFVNPOZKGURB-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.02
Rot. Bonds2

About ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate

ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate (PubChem CID 11358368) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate.

Molecular Properties

Compound Nameethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
PubChem CID11358368
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Nameethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
SMILESCCOC(=O)c1c(C)nc2n1nc1c3ccccc3ncn12
InChIInChI=1S/C15H13N5O2/c1-3-22-14(21)12-9(2)17-15-19-8-16-11-7-5-4-6-10(11)13(19)18-20(12)15/h4-8H,3H2,1-2H3
InChIKeyOFGFVNPOZKGURB-UHFFFAOYSA-N
XLogP2.02
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate with MolForge

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Related Compounds

ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
4-methyl-3-(13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaen-14-yl)-1H-1,2,4-triazole-5-thione
CID 11348277
(2-methylimidazo[1,2-c]quinazolin-3-yl) acetate
CID 730766
ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
CID 102144497
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134

Frequently Asked Questions

What is the IUPAC name of ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate?
The IUPAC name of ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate (CID 11358368) is ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate.
What is the SMILES notation for ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate?
The canonical SMILES for ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate is CCOC(=O)c1c(C)nc2n1nc1c3ccccc3ncn12.
What is the InChIKey of ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate?
The InChIKey is OFGFVNPOZKGURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-3-22-14(21)12-9(2)17-15-19-8-16-11-7-5-4-6-10(11)13(19)18-20(12)15/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate?
ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate is sourced from PubChem (CID 11358368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).