methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

C23H19FN2O2 — CID 56849959

IUPACmethyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C=C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c1-28-23(27)20-16(14-6-8-15(24)9-7-14)10-12-26-13-11-18-17-4-2-3-5-19(17)25-21(18)22(20)26/h2-10,12,16,25H,11,13H2,1H3/t16-/m0/s1
InChIKeyYPBITBOWHRXWEU-INIZCTEOSA-N
MW374.42 g/mol
LogP4.36
Rot. Bonds2

About methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (PubChem CID 56849959) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
PubChem CID56849959
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namemethyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C=C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c1-28-23(27)20-16(14-6-8-15(24)9-7-14)10-12-26-13-11-18-17-4-2-3-5-19(17)25-21(18)22(20)26/h2-10,12,16,25H,11,13H2,1H3/t16-/m0/s1
InChIKeyYPBITBOWHRXWEU-INIZCTEOSA-N
XLogP4.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849963
methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
CID 23641083
methyl 4-chloro-2-[[(1R)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
CID 92745414
(1R)-N-(2-fluorophenyl)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745420
methyl (6E)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate
CID 11824391
(1S)-N,1-bis(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745415
[(1R)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone
CID 92730385
methyl 4-[2-(2,2-difluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorobenzoate
CID 164924257
propan-2-yl 3-(3,4-difluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 58171806
propan-2-yl 3-(4-chlorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 66640179
methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 71082631
N-[2-(dimethylamino)ethyl]-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide
CID 66640339

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The IUPAC name of methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (CID 56849959) is methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is COC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C=C[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The InChIKey is YPBITBOWHRXWEU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-28-23(27)20-16(14-6-8-15(24)9-7-14)10-12-26-13-11-18-17-4-2-3-5-19(17)25-21(18)22(20)26/h2-10,12,16,25H,11,13H2,1H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is sourced from PubChem (CID 56849959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).