(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol

C19H22N2O — CID 139697323

IUPAC(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
SMILESC=CCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2
InChIInChI=1S/C19H22N2O/c1-4-8-21-11-13-9-17-15(10-19(2,22)12-20(17)3)14-6-5-7-16(21)18(13)14/h4-7,10-11,17,22H,1,8-9,12H2,2-3H3/t17-,19+/m0/s1
InChIKeyIBJYJJLRLYIGFB-PKOBYXMFSA-N
MW294.40 g/mol
LogP2.83
Rot. Bonds2

About (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol

(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol (PubChem CID 139697323) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol.

Molecular Properties

Compound Name(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
PubChem CID139697323
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
SMILESC=CCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2
InChIInChI=1S/C19H22N2O/c1-4-8-21-11-13-9-17-15(10-19(2,22)12-20(17)3)14-6-5-7-16(21)18(13)14/h4-7,10-11,17,22H,1,8-9,12H2,2-3H3/t17-,19+/m0/s1
InChIKeyIBJYJJLRLYIGFB-PKOBYXMFSA-N
XLogP2.83
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
[(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,9R)-N-[2-(dimethylamino)ethylcarbamoyl]-4-ethenyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 42630755
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
[4-(2-methoxyethyl)piperazin-1-yl]-[9-(2-methylpropyl)-3-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]methanone
CID 75616122
(5R)-N-ethyl-12-formyl-7-methyl-N-propyl-7,12-diazatetracyclo[8.6.1.02,8.013,17]heptadeca-1(17),2,10,13,15-pentaene-5-carboxamide
CID 170763728
9-(2-methylpropyl)-3-prop-2-enyl-N-prop-2-ynyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
CID 75616120

Frequently Asked Questions

What is the IUPAC name of (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The IUPAC name of (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol (CID 139697323) is (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol.
What is the SMILES notation for (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The canonical SMILES for (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol is C=CCn1cc2c3c(cccc31)C1=C[C@@](C)(O)CN(C)[C@H]1C2.
What is the InChIKey of (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
The InChIKey is IBJYJJLRLYIGFB-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-8-21-11-13-9-17-15(10-19(2,22)12-20(17)3)14-6-5-7-16(21)18(13)14/h4-7,10-11,17,22H,1,8-9,12H2,2-3H3/t17-,19+/m0/s1.
What are the key properties of (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol?
(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol has a molecular weight of 294.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol is sourced from PubChem (CID 139697323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).