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

C14H16N2O4 — CID 54019254

IUPAC4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)C1CC2c2c1c(O)n(C)c2O
InChIInChI=1S/C14H16N2O4/c1-3-16-13(19)9-5-4-6(10(9)14(16)20)8-7(5)11(17)15(2)12(8)18/h5-6,17-20H,3-4H2,1-2H3
InChIKeyKXUCFKSJDPKIKI-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.65
Rot. Bonds1

About 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

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 (PubChem CID 54019254) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol
PubChem CID54019254
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-ethyl-10-methyl-4,10-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)C1CC2c2c1c(O)n(C)c2O
InChIInChI=1S/C14H16N2O4/c1-3-16-13(19)9-5-4-6(10(9)14(16)20)8-7(5)11(17)15(2)12(8)18/h5-6,17-20H,3-4H2,1-2H3
InChIKeyKXUCFKSJDPKIKI-UHFFFAOYSA-N
XLogP1.65
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3,5-Dihydroxy-1-(2-methylprop-2-enyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl]ethyl]-1-(2-methylprop-2-enyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53654153
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
4-[6-(3,5-Dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)hexyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53805122
1-But-3-enyl-4-[2-(1-but-3-enyl-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53913614
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
1-But-3-enyl-4-[6-(1-but-3-enyl-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)hexyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53971200
1-But-3-enyl-4-[12-(1-but-3-enyl-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)dodecyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54051263
4-Ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol
CID 54065906
4-[12-(3,5-Dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)dodecyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54131254
4-[2-(3,5-Dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)cyclohexyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54135012
4-[2-(3,5-Dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54182004
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(O)c2c(c1O)C1CC2c2c1c(O)n(C)c2O.
What is the InChIKey of 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?
The InChIKey is KXUCFKSJDPKIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-16-13(19)9-5-4-6(10(9)14(16)20)8-7(5)11(17)15(2)12(8)18/h5-6,17-20H,3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 276.29 g/mol, XLogP of 1.65, 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[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol is sourced from PubChem (CID 54019254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).