methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate

C28H21F2N3O2 — CID 123807772

IUPACmethyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3=Cc4cc(F)ccc4C3)c(C3CCc4cc(F)ccc4N3)nc2c1
InChIInChI=1S/C28H21F2N3O2/c1-35-28(34)17-4-7-23-25(14-17)33-27(24-8-3-16-12-21(30)6-9-22(16)31-24)26(32-23)19-10-15-2-5-20(29)13-18(15)11-19/h2,4-7,9,11-14,24,31H,3,8,10H2,1H3
InChIKeyKBHNUHDWCSNNCV-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.89
Rot. Bonds3

About methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate

methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate (PubChem CID 123807772) has the molecular formula C28H21F2N3O2 and a molecular weight of 469.49 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
PubChem CID123807772
Molecular FormulaC28H21F2N3O2
Molecular Weight469.49 g/mol
Exact Mass469.16
IUPAC Namemethyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3=Cc4cc(F)ccc4C3)c(C3CCc4cc(F)ccc4N3)nc2c1
InChIInChI=1S/C28H21F2N3O2/c1-35-28(34)17-4-7-23-25(14-17)33-27(24-8-3-16-12-21(30)6-9-22(16)31-24)26(32-23)19-10-15-2-5-20(29)13-18(15)11-19/h2,4-7,9,11-14,24,31H,3,8,10H2,1H3
InChIKeyKBHNUHDWCSNNCV-UHFFFAOYSA-N
XLogP5.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-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

11-(2-Dimethylamino-ethylcarbamoyl)-benzo[a]phenazine-4-carboxylic acid methyl ester
CID 11825587
3-(2-Methyl-quinolin-8-ylamino)-3H-isobenzofuran-1-one
CID 3270644
Methyl 2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylate
CID 5055731
Methyl 1,3,10,12-tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4(9),5,7,10,15,17,19-octaene-6-carboxylate
CID 162657114
Methyl 9-[3-[2-[3-[(2-methoxycarbonyl-7-methylacridin-9-yl)amino]propylamino]ethylamino]propylamino]-7-methylacridine-2-carboxylate
CID 162666910
Methyl 2,3-diphenylquinoxaline-6-carboxylate
CID 4572650
Methyl 2-phenyl-3-(4-(phenylamino)piperidin-1-yl)quinoxaline-6-carboxylate
CID 67041984
Ethyl 4-[(1-benzylpiperidin-4-yl)amino]-2-(trifluoromethyl)quinoline-6-carboxylate
CID 2823595
Methyl 9-oxo-8,16-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,12,14(19)-hexaene-3-carboxylate
CID 11782591
Ethyl 2,3-diphenylquinoxaline-6-carboxylate
CID 5262000
3-Fluorobenzyl 2,3-dimethyl-6-quinoxalinecarboxylate
CID 2995150
2-Phenyl-3-o-tolylquinoxaline-6-carboxylic acid
CID 90116190

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate (CID 123807772) is methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(C3=Cc4cc(F)ccc4C3)c(C3CCc4cc(F)ccc4N3)nc2c1.
What is the InChIKey of methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
The InChIKey is KBHNUHDWCSNNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O2/c1-35-28(34)17-4-7-23-25(14-17)33-27(24-8-3-16-12-21(30)6-9-22(16)31-24)26(32-23)19-10-15-2-5-20(29)13-18(15)11-19/h2,4-7,9,11-14,24,31H,3,8,10H2,1H3.
What are the key properties of methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate?
methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate has a molecular weight of 469.49 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 123807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).