ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate

C24H22N2O3 — CID 102582302

IUPACethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCCOC(=O)[C@@H]1C=C2C(=NC1)CC1CN(C(=O)c3ccccc3)c3cccc2c31
InChIInChI=1S/C24H22N2O3/c1-2-29-24(28)16-11-19-18-9-6-10-21-22(18)17(12-20(19)25-13-16)14-26(21)23(27)15-7-4-3-5-8-15/h3-11,16-17H,2,12-14H2,1H3/t16-,17?/m1/s1
InChIKeyWFLYHJFGADAFII-TZHYSIJRSA-N
MW386.45 g/mol
LogP3.85
Rot. Bonds3

About ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate

ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate (PubChem CID 102582302) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate.

Molecular Properties

Compound Nameethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate
PubChem CID102582302
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Nameethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCCOC(=O)[C@@H]1C=C2C(=NC1)CC1CN(C(=O)c3ccccc3)c3cccc2c31
InChIInChI=1S/C24H22N2O3/c1-2-29-24(28)16-11-19-18-9-6-10-21-22(18)17(12-20(19)25-13-16)14-26(21)23(27)15-7-4-3-5-8-15/h3-11,16-17H,2,12-14H2,1H3/t16-,17?/m1/s1
InChIKeyWFLYHJFGADAFII-TZHYSIJRSA-N
XLogP3.85
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate 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 ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate?
The IUPAC name of ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate (CID 102582302) is ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate.
What is the SMILES notation for ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate?
The canonical SMILES for ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate is CCOC(=O)[C@@H]1C=C2C(=NC1)CC1CN(C(=O)c3ccccc3)c3cccc2c31.
What is the InChIKey of ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate?
The InChIKey is WFLYHJFGADAFII-TZHYSIJRSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-29-24(28)16-11-19-18-9-6-10-21-22(18)17(12-20(19)25-13-16)14-26(21)23(27)15-7-4-3-5-8-15/h3-11,16-17H,2,12-14H2,1H3/t16-,17?/m1/s1.
What are the key properties of ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate?
ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9R)-4-benzoyl-5a,6,8,9-tetrahydro-5H-indolo[4,3-fg]quinoline-9-carboxylate is sourced from PubChem (CID 102582302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).