[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone

C20H17FN2O2 — CID 11638589

IUPAC[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone
SMILESCC[C@H]1c2cccn2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C20H17FN2O2/c1-2-16-17-4-3-11-22(17)18-10-7-14(21)12-19(18)23(16)20(25)13-5-8-15(24)9-6-13/h3-12,16,24H,2H2,1H3/t16-/m0/s1
InChIKeyMPCXJAHXEMWNDE-INIZCTEOSA-N
MW336.37 g/mol
LogP4.43
Rot. Bonds2

About [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone

[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone (PubChem CID 11638589) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone
PubChem CID11638589
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone
SMILESCC[C@H]1c2cccn2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C20H17FN2O2/c1-2-16-17-4-3-11-22(17)18-10-7-14(21)12-19(18)23(16)20(25)13-5-8-15(24)9-6-13/h3-12,16,24H,2H2,1H3/t16-/m0/s1
InChIKeyMPCXJAHXEMWNDE-INIZCTEOSA-N
XLogP4.43
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone with MolForge

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Related Compounds

(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
CID 11515674
(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
CID 69223185
(7-fluoro-4-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-(3-hydroxyphenyl)methanone
CID 69066293
[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11530341
4-[(4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl)sulfonyl]-2,6-dimethylphenol
CID 11711064
[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11674380
[(6R)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11609669
5-(3-chloro-4-methoxyphenyl)sulfonyl-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxaline
CID 69069134
(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
CID 69223676
3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 69240178
(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
CID 69221455
(7R)-N-(2,4-difluorophenyl)-7-ethyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide
CID 92873516

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone (CID 11638589) is [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone is CC[C@H]1c2cccn2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1.
What is the InChIKey of [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is MPCXJAHXEMWNDE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-2-16-17-4-3-11-22(17)18-10-7-14(21)12-19(18)23(16)20(25)13-5-8-15(24)9-6-13/h3-12,16,24H,2H2,1H3/t16-/m0/s1.
What are the key properties of [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone?
[(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 336.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-ethyl-7-fluoro-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 11638589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).