ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate

C18H17NO2 — CID 14271439

IUPACethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
SMILESCCOC(=O)C12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C18H17NO2/c1-2-21-17(20)18-14-9-5-3-7-12(14)11-16(19-18)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyPRIBZUACRZRAOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds2

About ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate

ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate (PubChem CID 14271439) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate.

Molecular Properties

Compound Nameethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
PubChem CID14271439
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
SMILESCCOC(=O)C12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C18H17NO2/c1-2-21-17(20)18-14-9-5-3-7-12(14)11-16(19-18)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyPRIBZUACRZRAOK-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate with MolForge

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Related Compounds

(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 138402144
ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
CID 57044445
ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
CID 24840076
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate
CID 11379225
diethyl 2-[(1R,2R)-2-formyl-2,3-dihydro-1H-inden-1-yl]propanedioate
CID 11623641
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
diethyl (2S,3R,4R)-4-ethyl-4-methyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
CID 10495794
diethyl (3S,5R)-3,5-diphenylpyrrolidine-2,2-dicarboxylate
CID 70676422
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate
CID 10880345

Frequently Asked Questions

What is the IUPAC name of ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate?
The IUPAC name of ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate (CID 14271439) is ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate.
What is the SMILES notation for ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate?
The canonical SMILES for ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate is CCOC(=O)C12NC(Cc3ccccc31)c1ccccc12.
What is the InChIKey of ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate?
The InChIKey is PRIBZUACRZRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-21-17(20)18-14-9-5-3-7-12(14)11-16(19-18)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate?
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate is sourced from PubChem (CID 14271439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).