(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide

C23H21F3N4O3 — CID 92887557

IUPAC(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)c2c1
InChIInChI=1S/C23H21F3N4O3/c1-13(30-19-6-4-3-5-18(19)29-20(22(30)32)23(24,25)26)21(31)27-10-9-14-12-28-17-8-7-15(33-2)11-16(14)17/h3-8,11-13,28H,9-10H2,1-2H3,(H,27,31)/t13-/m1/s1
InChIKeyPQMWDNPQHKSCRL-CYBMUJFWSA-N
MW458.44 g/mol
LogP3.83
Rot. Bonds6

About (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide

(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide (PubChem CID 92887557) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
PubChem CID92887557
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)c2c1
InChIInChI=1S/C23H21F3N4O3/c1-13(30-19-6-4-3-5-18(19)29-20(22(30)32)23(24,25)26)21(31)27-10-9-14-12-28-17-8-7-15(33-2)11-16(14)17/h3-8,11-13,28H,9-10H2,1-2H3,(H,27,31)/t13-/m1/s1
InChIKeyPQMWDNPQHKSCRL-CYBMUJFWSA-N
XLogP3.83
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 96534724
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
(4R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 169004766
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
N-[3-(N-methylanilino)propyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284805
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
CID 92864964
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[3-naphthalen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 4979669
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17026464
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide (CID 92887557) is (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide is COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)c2c1.
What is the InChIKey of (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?
The InChIKey is PQMWDNPQHKSCRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-13(30-19-6-4-3-5-18(19)29-20(22(30)32)23(24,25)26)21(31)27-10-9-14-12-28-17-8-7-15(33-2)11-16(14)17/h3-8,11-13,28H,9-10H2,1-2H3,(H,27,31)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide has a molecular weight of 458.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide is sourced from PubChem (CID 92887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).