6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

C18H26N2O2 — CID 82156654

IUPAC6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCC1CNc2cc3c(cc2N1CC1CCCCC1)OCCO3
InChIInChI=1S/C18H26N2O2/c1-13-11-19-15-9-17-18(22-8-7-21-17)10-16(15)20(13)12-14-5-3-2-4-6-14/h9-10,13-14,19H,2-8,11-12H2,1H3
InChIKeyPPBKABZLVKPHJM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.66
Rot. Bonds2

About 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (PubChem CID 82156654) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
PubChem CID82156654
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCC1CNc2cc3c(cc2N1CC1CCCCC1)OCCO3
InChIInChI=1S/C18H26N2O2/c1-13-11-19-15-9-17-18(22-8-7-21-17)10-16(15)20(13)12-14-5-3-2-4-6-14/h9-10,13-14,19H,2-8,11-12H2,1H3
InChIKeyPPBKABZLVKPHJM-UHFFFAOYSA-N
XLogP3.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The IUPAC name of 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (CID 82156654) is 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.
What is the SMILES notation for 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The canonical SMILES for 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is CC1CNc2cc3c(cc2N1CC1CCCCC1)OCCO3.
What is the InChIKey of 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The InChIKey is PPBKABZLVKPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-19-15-9-17-18(22-8-7-21-17)10-16(15)20(13)12-14-5-3-2-4-6-14/h9-10,13-14,19H,2-8,11-12H2,1H3.
What are the key properties of 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline has a molecular weight of 302.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is sourced from PubChem (CID 82156654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).