(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline

C15H19BrN2 — CID 67753169

IUPAC(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
SMILESCC12CNc3cc(Br)cc(c31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H19BrN2/c1-15-7-13-10(3-2-4-17-13)11-5-9(16)6-12(14(11)15)18-8-15/h5-6,10,13,17-18H,2-4,7-8H2,1H3/t10-,13-,15?/m1/s1
InChIKeyVQAHAIMJWHTSQU-BAOLWLNASA-N
MW307.24 g/mol
LogP3.37
Rot. Bonds

About (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline

(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 67753169) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
PubChem CID67753169
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
SMILESCC12CNc3cc(Br)cc(c31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H19BrN2/c1-15-7-13-10(3-2-4-17-13)11-5-9(16)6-12(14(11)15)18-8-15/h5-6,10,13,17-18H,2-4,7-8H2,1H3/t10-,13-,15?/m1/s1
InChIKeyVQAHAIMJWHTSQU-BAOLWLNASA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline (CID 67753169) is (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline is CC12CNc3cc(Br)cc(c31)[C@H]1CCCN[C@@H]1C2.
What is the InChIKey of (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is VQAHAIMJWHTSQU-BAOLWLNASA-N. The full InChI is InChI=1S/C15H19BrN2/c1-15-7-13-10(3-2-4-17-13)11-5-9(16)6-12(14(11)15)18-8-15/h5-6,10,13,17-18H,2-4,7-8H2,1H3/t10-,13-,15?/m1/s1.
What are the key properties of (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 307.24 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 67753169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).