(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one

C18H20FN5O2 — CID 44574028

IUPAC(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
SMILESN[C@H](CO)C(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)22-6-8-23(9-7-22)18(26)13(20)11-25/h1-5,10,13,25H,6-9,11,20H2/t13-/m1/s1
InChIKeyNRZLSBWIFONJBN-CYBMUJFWSA-N
MW357.39 g/mol
LogP0.59
Rot. Bonds3

About (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one

(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 44574028) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID44574028
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
SMILESN[C@H](CO)C(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)22-6-8-23(9-7-22)18(26)13(20)11-25/h1-5,10,13,25H,6-9,11,20H2/t13-/m1/s1
InChIKeyNRZLSBWIFONJBN-CYBMUJFWSA-N
XLogP0.59
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one (CID 44574028) is (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one is N[C@H](CO)C(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is NRZLSBWIFONJBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)22-6-8-23(9-7-22)18(26)13(20)11-25/h1-5,10,13,25H,6-9,11,20H2/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one?
(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 357.39 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 44574028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).