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

C18H19N3O — CID 3088103

IUPAC3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
SMILESCN1C[C@H](c2ccon2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C18H19N3O/c1-21-10-12(15-5-6-22-20-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)21/h2-6,9,12,14,17,19H,7-8,10H2,1H3/t12-,14?,17-/m1/s1
InChIKeyQUGQNUBWNFKOCK-ZYFOBHMOSA-N
MW293.37 g/mol
LogP3.28
Rot. Bonds1

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

3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole (PubChem CID 3088103) has the molecular formula C18H19N3O and a molecular weight of 293.37 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]-1,2-oxazole.

Molecular Properties

Compound Name3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
PubChem CID3088103
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
SMILESCN1C[C@H](c2ccon2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C18H19N3O/c1-21-10-12(15-5-6-22-20-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)21/h2-6,9,12,14,17,19H,7-8,10H2,1H3/t12-,14?,17-/m1/s1
InChIKeyQUGQNUBWNFKOCK-ZYFOBHMOSA-N
XLogP3.28
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-1,2-oxazole?
The IUPAC name of 3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole (CID 3088103) is 3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole.
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]-1,2-oxazole?
The canonical SMILES for 3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole is CN1C[C@H](c2ccon2)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]-1,2-oxazole?
The InChIKey is QUGQNUBWNFKOCK-ZYFOBHMOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21-10-12(15-5-6-22-20-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)21/h2-6,9,12,14,17,19H,7-8,10H2,1H3/t12-,14?,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]-1,2-oxazole?
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole has a molecular weight of 293.37 g/mol, XLogP of 3.28, 1 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]-1,2-oxazole is sourced from PubChem (CID 3088103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).