1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid

C18H16F3N3O2 — CID 155406462

IUPAC1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-5-6-13-15(9-12)24-8-2-4-14(24)16(22-13)23-7-1-3-11(10-23)17(25)26/h2,4-6,8-9,11H,1,3,7,10H2,(H,25,26)
InChIKeyIQSNZIIYLULRQD-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.81
Rot. Bonds2

About 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid

1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid (PubChem CID 155406462) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid
PubChem CID155406462
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-5-6-13-15(9-12)24-8-2-4-14(24)16(22-13)23-7-1-3-11(10-23)17(25)26/h2,4-6,8-9,11H,1,3,7,10H2,(H,25,26)
InChIKeyIQSNZIIYLULRQD-UHFFFAOYSA-N
XLogP3.81
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid 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

tert-butyl N-[1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]pyrrolidin-3-yl]carbamate
CID 155741652
8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 155406860
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003589
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003304
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901

Frequently Asked Questions

What is the IUPAC name of 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid (CID 155406462) is 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)C1.
What is the InChIKey of 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is IQSNZIIYLULRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)12-5-6-13-15(9-12)24-8-2-4-14(24)16(22-13)23-7-1-3-11(10-23)17(25)26/h2,4-6,8-9,11H,1,3,7,10H2,(H,25,26).
What are the key properties of 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid?
1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 363.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155406462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).