(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol

C18H22N2O — CID 139697319

IUPAC(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
SMILESCCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2
InChIInChI=1S/C18H22N2O/c1-4-20-10-12-8-16-14(9-18(2,21)11-19(16)3)13-6-5-7-15(20)17(12)13/h5-7,9-10,16,21H,4,8,11H2,1-3H3/t16-,18+/m0/s1
InChIKeyAQPFUACWDMOPLH-FUHWJXTLSA-N
MW282.39 g/mol
LogP2.67
Rot. Bonds1

About (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol

(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol (PubChem CID 139697319) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol.

Molecular Properties

Compound Name(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
PubChem CID139697319
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
SMILESCCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2
InChIInChI=1S/C18H22N2O/c1-4-20-10-12-8-16-14(9-18(2,21)11-19(16)3)13-6-5-7-15(20)17(12)13/h5-7,9-10,16,21H,4,8,11H2,1-3H3/t16-,18+/m0/s1
InChIKeyAQPFUACWDMOPLH-FUHWJXTLSA-N
XLogP2.67
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol with MolForge

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Related Compounds

(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697323
(6aR,9S)-4-(1-fluoro-2-iodoethenyl)-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697318
(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 22791373
(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
CID 22814540
(6aR,9R)-7-methyl-4-(4-oxohexyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 161372967
(6aR,9R)-4-(3-aminopropyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22894553
3-[(6aR,9R)-7-methyl-4-prop-2-ynyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 42630751
[(6aR,9R)-5-bromo-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70118962
(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl chloride
CID 88808028
(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
CID 54418825
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-4-(trifluoromethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 90247733

Frequently Asked Questions

What is the IUPAC name of (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The IUPAC name of (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol (CID 139697319) is (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol.
What is the SMILES notation for (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The canonical SMILES for (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol is CCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2.
What is the InChIKey of (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The InChIKey is AQPFUACWDMOPLH-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-20-10-12-8-16-14(9-18(2,21)11-19(16)3)13-6-5-7-15(20)17(12)13/h5-7,9-10,16,21H,4,8,11H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol has a molecular weight of 282.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol is sourced from PubChem (CID 139697319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).