3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one

C19H23N3O2 — CID 3064752

IUPAC3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CN2CCOC2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C19H23N3O2/c1-21-10-12(11-22-5-6-24-19(22)23)7-15-14-3-2-4-16-18(14)13(9-20-16)8-17(15)21/h2-4,9,12,15,17,20H,5-8,10-11H2,1H3/t12-,15?,17-/m1/s1
InChIKeyIWAYTKOKZODAMR-XURPUJGUSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds2

About 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one

3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 3064752) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID3064752
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CN2CCOC2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C19H23N3O2/c1-21-10-12(11-22-5-6-24-19(22)23)7-15-14-3-2-4-16-18(14)13(9-20-16)8-17(15)21/h2-4,9,12,15,17,20H,5-8,10-11H2,1H3/t12-,15?,17-/m1/s1
InChIKeyIWAYTKOKZODAMR-XURPUJGUSA-N
XLogP2.58
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one (CID 3064752) is 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one is CN1C[C@H](CN2CCOC2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IWAYTKOKZODAMR-XURPUJGUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-10-12(11-22-5-6-24-19(22)23)7-15-14-3-2-4-16-18(14)13(9-20-16)8-17(15)21/h2-4,9,12,15,17,20H,5-8,10-11H2,1H3/t12-,15?,17-/m1/s1.
What are the key properties of 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one?
3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3064752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).