1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one

C26H36N2O2 — CID 149482854

IUPAC1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)C1CN(C)[C@@H]2Cc3c(C4CC4)n(C)c4cccc(c34)C2(O)C1
InChIInChI=1S/C26H36N2O2/c1-5-16(6-2)12-22(29)18-14-26(30)20-8-7-9-21-24(20)19(13-23(26)27(3)15-18)25(28(21)4)17-10-11-17/h7-9,16-18,23,30H,5-6,10-15H2,1-4H3/t18?,23-,26?/m1/s1
InChIKeyZDPINQHXNSYYEB-GRELRLAZSA-N
MW408.59 g/mol
LogP4.52
Rot. Bonds6

About 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one

1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one (PubChem CID 149482854) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one.

Molecular Properties

Compound Name1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one
PubChem CID149482854
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)C1CN(C)[C@@H]2Cc3c(C4CC4)n(C)c4cccc(c34)C2(O)C1
InChIInChI=1S/C26H36N2O2/c1-5-16(6-2)12-22(29)18-14-26(30)20-8-7-9-21-24(20)19(13-23(26)27(3)15-18)25(28(21)4)17-10-11-17/h7-9,16-18,23,30H,5-6,10-15H2,1-4H3/t18?,23-,26?/m1/s1
InChIKeyZDPINQHXNSYYEB-GRELRLAZSA-N
XLogP4.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one?
The IUPAC name of 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one (CID 149482854) is 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one.
What is the SMILES notation for 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one?
The canonical SMILES for 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one is CCC(CC)CC(=O)C1CN(C)[C@@H]2Cc3c(C4CC4)n(C)c4cccc(c34)C2(O)C1.
What is the InChIKey of 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one?
The InChIKey is ZDPINQHXNSYYEB-GRELRLAZSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-5-16(6-2)12-22(29)18-14-26(30)20-8-7-9-21-24(20)19(13-23(26)27(3)15-18)25(28(21)4)17-10-11-17/h7-9,16-18,23,30H,5-6,10-15H2,1-4H3/t18?,23-,26?/m1/s1.
What are the key properties of 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one?
1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one has a molecular weight of 408.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aR)-5-cyclopropyl-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-3-ethylpentan-1-one is sourced from PubChem (CID 149482854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).