4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol

C19H17N3O — CID 127052833

IUPAC4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol
SMILESCN(C)c1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1
InChIInChI=1S/C19H17N3O/c1-21(2)14-7-5-13(6-8-14)19-18-4-3-11-22(18)17-10-9-15(23)12-16(17)20-19/h3-12,23H,1-2H3
InChIKeyAGEXPMNIPQBGOW-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.93
Rot. Bonds2

About 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol

4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol (PubChem CID 127052833) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol
PubChem CID127052833
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol
SMILESCN(C)c1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1
InChIInChI=1S/C19H17N3O/c1-21(2)14-7-5-13(6-8-14)19-18-4-3-11-22(18)17-10-9-15(23)12-16(17)20-19/h3-12,23H,1-2H3
InChIKeyAGEXPMNIPQBGOW-UHFFFAOYSA-N
XLogP3.93
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol?
The IUPAC name of 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol (CID 127052833) is 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol is CN(C)c1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol?
The InChIKey is AGEXPMNIPQBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-21(2)14-7-5-13(6-8-14)19-18-4-3-11-22(18)17-10-9-15(23)12-16(17)20-19/h3-12,23H,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol?
4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol has a molecular weight of 303.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol is sourced from PubChem (CID 127052833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).