ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate

C17H14N4O2 — CID 14867812

IUPACethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
SMILESCCOC(=O)c1cc2c(ccn3c4ncccc4nc23)nc1C
InChIInChI=1S/C17H14N4O2/c1-3-23-17(22)11-9-12-13(19-10(11)2)6-8-21-15(12)20-14-5-4-7-18-16(14)21/h4-9H,3H2,1-2H3
InChIKeyBCYREWIRCQJJBJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.92
Rot. Bonds2

About ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate

ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate (PubChem CID 14867812) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
PubChem CID14867812
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Nameethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
SMILESCCOC(=O)c1cc2c(ccn3c4ncccc4nc23)nc1C
InChIInChI=1S/C17H14N4O2/c1-3-23-17(22)11-9-12-13(19-10(11)2)6-8-21-15(12)20-14-5-4-7-18-16(14)21/h4-9H,3H2,1-2H3
InChIKeyBCYREWIRCQJJBJ-UHFFFAOYSA-N
XLogP2.92
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate with MolForge

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Related Compounds

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ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
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ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
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ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
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(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate?
The IUPAC name of ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate (CID 14867812) is ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate is CCOC(=O)c1cc2c(ccn3c4ncccc4nc23)nc1C.
What is the InChIKey of ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate?
The InChIKey is BCYREWIRCQJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-3-23-17(22)11-9-12-13(19-10(11)2)6-8-21-15(12)20-14-5-4-7-18-16(14)21/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate?
ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate has a molecular weight of 306.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate is sourced from PubChem (CID 14867812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).