3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid

C70H66F2N8O8 — CID 160536635

IUPAC3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5F)cnc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5F)nc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/2C35H33FN4O4/c36-27-9-5-4-8-25(27)30-20-37-29-18-23(11-13-28(29)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39;36-27-9-5-4-8-25(27)30-20-37-28-13-11-23(18-29(28)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39/h2*4-5,8-13,18-20,22H,1-3,6-7,14-17,21H2,(H,42,43)
InChIKeyQWFXKWRGDOGJNG-UHFFFAOYSA-N
MW1185.34 g/mol
LogP13.32
Rot. Bonds12

About 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid

3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid (PubChem CID 160536635) has the molecular formula C70H66F2N8O8 and a molecular weight of 1185.34 g/mol. Its IUPAC name is 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
PubChem CID160536635
Molecular FormulaC70H66F2N8O8
Molecular Weight1185.34 g/mol
Exact Mass1184.50
IUPAC Name3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5F)cnc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5F)nc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/2C35H33FN4O4/c36-27-9-5-4-8-25(27)30-20-37-29-18-23(11-13-28(29)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39;36-27-9-5-4-8-25(27)30-20-37-28-13-11-23(18-29(28)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39/h2*4-5,8-13,18-20,22H,1-3,6-7,14-17,21H2,(H,42,43)
InChIKeyQWFXKWRGDOGJNG-UHFFFAOYSA-N
XLogP13.32
TPSA195.10 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.34
LogP ≤ 513.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid with MolForge

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Related Compounds

2-[2-(3-aminophenyl)quinolin-6-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 58710351
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-thiophen-2-ylquinolin-6-yl)indole-6-carboxylic acid
CID 11556067
3-cyclohexyl-2-[2-(2-ethoxy-4-methylpyrimidin-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 11563605
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146536
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 58923431
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-1-ium-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 143261915
2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146487
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
CID 158184456
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-6-carboxylic acid
CID 11512861
2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146520
3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
CID 11156284

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid (CID 160536635) is 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5F)cnc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5F)nc4c3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid?
The InChIKey is QWFXKWRGDOGJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H33FN4O4/c36-27-9-5-4-8-25(27)30-20-37-29-18-23(11-13-28(29)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39;36-27-9-5-4-8-25(27)30-20-37-28-13-11-23(18-29(28)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39/h2*4-5,8-13,18-20,22H,1-3,6-7,14-17,21H2,(H,42,43).
What are the key properties of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid?
3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid has a molecular weight of 1185.34 g/mol, XLogP of 13.32, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid is sourced from PubChem (CID 160536635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).