(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol

C14H16N2O2 — CID 57174499

IUPAC(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol
SMILESOc1[nH]c2cccc3c2c1C[C@H]1NCC(O)C[C@H]31
InChIInChI=1S/C14H16N2O2/c17-7-4-9-8-2-1-3-11-13(8)10(14(18)16-11)5-12(9)15-6-7/h1-3,7,9,12,15-18H,4-6H2/t7?,9-,12-/m1/s1
InChIKeyLMJOTCKSWHMSQJ-XTOKZYMASA-N
MW244.29 g/mol
LogP1.24
Rot. Bonds

About (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol (PubChem CID 57174499) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol.

Molecular Properties

Compound Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol
PubChem CID57174499
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol
SMILESOc1[nH]c2cccc3c2c1C[C@H]1NCC(O)C[C@H]31
InChIInChI=1S/C14H16N2O2/c17-7-4-9-8-2-1-3-11-13(8)10(14(18)16-11)5-12(9)15-6-7/h1-3,7,9,12,15-18H,4-6H2/t7?,9-,12-/m1/s1
InChIKeyLMJOTCKSWHMSQJ-XTOKZYMASA-N
XLogP1.24
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol with MolForge

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Related Compounds

N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
CID 10337651
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 15780345
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 67571263
[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
CID 70167957
(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 54164503
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
2-[[(9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethanol
CID 90128946
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 70573336
(6aR,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 14277600

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol?
The IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol (CID 57174499) is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol.
What is the SMILES notation for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol?
The canonical SMILES for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol is Oc1[nH]c2cccc3c2c1C[C@H]1NCC(O)C[C@H]31.
What is the InChIKey of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol?
The InChIKey is LMJOTCKSWHMSQJ-XTOKZYMASA-N. The full InChI is InChI=1S/C14H16N2O2/c17-7-4-9-8-2-1-3-11-13(8)10(14(18)16-11)5-12(9)15-6-7/h1-3,7,9,12,15-18H,4-6H2/t7?,9-,12-/m1/s1.
What are the key properties of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol?
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol has a molecular weight of 244.29 g/mol, XLogP of 1.24, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol is sourced from PubChem (CID 57174499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).