(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline

C23H24N2 — CID 22814540

IUPAC(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1
InChIInChI=1S/C23H24N2/c1-16-11-20-19-9-6-10-21-23(19)18(12-22(20)24(2)13-16)15-25(21)14-17-7-4-3-5-8-17/h3-11,15-16,22H,12-14H2,1-2H3/t16-,22-/m1/s1
InChIKeyOCELRSSLYNONBV-OPAMFIHVSA-N
MW328.46 g/mol
LogP4.58
Rot. Bonds2

About (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline

(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline (PubChem CID 22814540) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
PubChem CID22814540
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1
InChIInChI=1S/C23H24N2/c1-16-11-20-19-9-6-10-21-23(19)18(12-22(20)24(2)13-16)15-25(21)14-17-7-4-3-5-8-17/h3-11,15-16,22H,12-14H2,1-2H3/t16-,22-/m1/s1
InChIKeyOCELRSSLYNONBV-OPAMFIHVSA-N
XLogP4.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline with MolForge

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Related Compounds

(6aR,9R)-7-methyl-4-(4-oxohexyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 161372967
(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl chloride
CID 88808028
(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,9S)-9-[(4-benzhydrylpiperazin-1-yl)methyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
CID 70116896
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697319
1-[(6aR,9R)-9-(2,4-dimethylazetidine-1-carbonyl)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]propan-1-one
CID 166091836
(6aR,9R)-4-(cyclopropanecarbonyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 155884675
N,N-diethyl-7-methyl-4-(3-trimethylsilylpropanoyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172872047
(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697323
N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]-6-bromopyridin-3-amine
CID 22798505

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline (CID 22814540) is (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline is C[C@@H]1C=C2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1.
What is the InChIKey of (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline?
The InChIKey is OCELRSSLYNONBV-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H24N2/c1-16-11-20-19-9-6-10-21-23(19)18(12-22(20)24(2)13-16)15-25(21)14-17-7-4-3-5-8-17/h3-11,15-16,22H,12-14H2,1-2H3/t16-,22-/m1/s1.
What are the key properties of (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline?
(6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline has a molecular weight of 328.46 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-4-benzyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 22814540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).