ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride

C17H19ClN2O2 — CID 24824018

IUPACethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C2c3cccc4[nH]cc(c34)CC2N(C)C1.Cl
InChIInChI=1S/C17H18N2O2.ClH/c1-3-21-17(20)12-9-19(2)14-7-10-8-18-13-6-4-5-11(15(10)13)16(12)14;/h4-6,8,14,18H,3,7,9H2,1-2H3;1H
InChIKeyLOIWDEZFKSSIBW-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.78
Rot. Bonds2

About ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride

ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride (PubChem CID 24824018) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride
PubChem CID24824018
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C2c3cccc4[nH]cc(c34)CC2N(C)C1.Cl
InChIInChI=1S/C17H18N2O2.ClH/c1-3-21-17(20)12-9-19(2)14-7-10-8-18-13-6-4-5-11(15(10)13)16(12)14;/h4-6,8,14,18H,3,7,9H2,1-2H3;1H
InChIKeyLOIWDEZFKSSIBW-UHFFFAOYSA-N
XLogP2.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride with MolForge

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Related Compounds

(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
CID 138970687
2-[(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylacetamide
CID 159746240
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
CID 70402623
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
N-butoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723225
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
CID 70390159
1-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-ethylurea
CID 118989318
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl 3-cyanobenzoate
CID 71652949

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride (CID 24824018) is ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride is CCOC(=O)C1=C2c3cccc4[nH]cc(c34)CC2N(C)C1.Cl.
What is the InChIKey of ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride?
The InChIKey is LOIWDEZFKSSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c1-3-21-17(20)12-9-19(2)14-7-10-8-18-13-6-4-5-11(15(10)13)16(12)14;/h4-6,8,14,18H,3,7,9H2,1-2H3;1H.
What are the key properties of ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride?
ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride is sourced from PubChem (CID 24824018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).