cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate

C19H24N2O3 — CID 95989014

IUPACcyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)[C@H]2Nc3ccccc3N(C)[C@H]2O1
InChIInChI=1S/C19H24N2O3/c1-12-16(19(22)24-13-8-4-3-5-9-13)17-18(23-12)21(2)15-11-7-6-10-14(15)20-17/h6-7,10-11,13,17-18,20H,3-5,8-9H2,1-2H3/t17-,18+/m1/s1
InChIKeyIBEAKLTUBOKGKK-MSOLQXFVSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds2

About cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate

cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 95989014) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate
PubChem CID95989014
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namecyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)[C@H]2Nc3ccccc3N(C)[C@H]2O1
InChIInChI=1S/C19H24N2O3/c1-12-16(19(22)24-13-8-4-3-5-9-13)17-18(23-12)21(2)15-11-7-6-10-14(15)20-17/h6-7,10-11,13,17-18,20H,3-5,8-9H2,1-2H3/t17-,18+/m1/s1
InChIKeyIBEAKLTUBOKGKK-MSOLQXFVSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

(4-tert-butylcyclohexyl) (3aS,9aS)-9-ethyl-2-methyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate
CID 40547185
1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone
CID 12754364
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclooctyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722645
cyclohexyl 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 30092379
cyclohexyl 5-methylfuran-3-carboxylate
CID 23661320
cyclooctyl (1S)-9,11-dimethyl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate
CID 25252444
dicyclohexyl furan-3,4-dicarboxylate
CID 71348415
cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 63541879
cyclooctyl 1-methylpyrazole-4-carboxylate
CID 78840160
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate (CID 95989014) is cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate is CC1=C(C(=O)OC2CCCCC2)[C@H]2Nc3ccccc3N(C)[C@H]2O1.
What is the InChIKey of cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is IBEAKLTUBOKGKK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-16(19(22)24-13-8-4-3-5-9-13)17-18(23-12)21(2)15-11-7-6-10-14(15)20-17/h6-7,10-11,13,17-18,20H,3-5,8-9H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate?
cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 95989014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).