4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol

C15H18N2O4 — CID 54393063

IUPAC4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)C1CCC2c2c1c(O)n(C)c2O
InChIInChI=1S/C15H18N2O4/c1-3-17-14(20)10-6-4-5-7(11(10)15(17)21)9-8(6)12(18)16(2)13(9)19/h6-7,18-21H,3-5H2,1-2H3
InChIKeyVIAKQKUQGUUUDV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.04
Rot. Bonds1

About 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol

4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol (PubChem CID 54393063) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol.

Molecular Properties

Compound Name4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol
PubChem CID54393063
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)C1CCC2c2c1c(O)n(C)c2O
InChIInChI=1S/C15H18N2O4/c1-3-17-14(20)10-6-4-5-7(11(10)15(17)21)9-8(6)12(18)16(2)13(9)19/h6-7,18-21H,3-5H2,1-2H3
InChIKeyVIAKQKUQGUUUDV-UHFFFAOYSA-N
XLogP2.04
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexylamino]hexyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53634025
4-Ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11,13-pentaene-3,5,9,11-tetrol
CID 53655842
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
2,6-Bis(chloromethyl)-4,8-bis(hydroxymethylidene)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
CID 53726911
4,10-Bis(prop-2-enyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol
CID 53933141
4,10-Diethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11,13-pentaene-3,5,9,11-tetrol
CID 53958613
4-Ethyl-10-methyl-4,10-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol
CID 54019254
4-(2-Ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 54051880
2-(2-Methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54081356
2,6-Dibenzyl-4,8-bis(hydroxymethylidene)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
CID 54109827
5-[(2-Cyano-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-5-yl)methyl]-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-2-carbonitrile
CID 54148452
2,6-Bis(bromomethyl)-4,8-bis(hydroxymethylidene)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
CID 54270582

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol?
The IUPAC name of 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol (CID 54393063) is 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol.
What is the SMILES notation for 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol?
The canonical SMILES for 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol is CCn1c(O)c2c(c1O)C1CCC2c2c1c(O)n(C)c2O.
What is the InChIKey of 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol?
The InChIKey is VIAKQKUQGUUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-17-14(20)10-6-4-5-7(11(10)15(17)21)9-8(6)12(18)16(2)13(9)19/h6-7,18-21H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol?
4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol has a molecular weight of 290.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol is sourced from PubChem (CID 54393063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).