(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one

C20H21FN2O3 — CID 69223185

IUPAC(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
SMILESCCCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(O)cc2)c2cc(F)ccc21
InChIInChI=1S/C20H21FN2O3/c1-3-11-22-17-10-7-14(21)12-18(17)23(16(4-2)20(22)26)19(25)13-5-8-15(24)9-6-13/h5-10,12,16,24H,3-4,11H2,1-2H3/t16-/m1/s1
InChIKeyOZFHILBUZFPLBR-MRXNPFEDSA-N
MW356.40 g/mol
LogP3.71
Rot. Bonds4

About (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one

(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one (PubChem CID 69223185) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
PubChem CID69223185
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
SMILESCCCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(O)cc2)c2cc(F)ccc21
InChIInChI=1S/C20H21FN2O3/c1-3-11-22-17-10-7-14(21)12-18(17)23(16(4-2)20(22)26)19(25)13-5-8-15(24)9-6-13/h5-10,12,16,24H,3-4,11H2,1-2H3/t16-/m1/s1
InChIKeyOZFHILBUZFPLBR-MRXNPFEDSA-N
XLogP3.71
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one?
The IUPAC name of (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one (CID 69223185) is (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one is CCCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(O)cc2)c2cc(F)ccc21.
What is the InChIKey of (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one?
The InChIKey is OZFHILBUZFPLBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-11-22-17-10-7-14(21)12-18(17)23(16(4-2)20(22)26)19(25)13-5-8-15(24)9-6-13/h5-10,12,16,24H,3-4,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one?
(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one is sourced from PubChem (CID 69223185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).