7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

C19H17N3O — CID 25156006

IUPAC7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12
InChIInChI=1S/C19H17N3O/c23-19-18-7-4-10-22(18)17-9-8-15(11-16(17)21-19)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2,(H,21,23)
InChIKeyDDSZVIITYZXMIN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds4

About 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156006) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156006
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12
InChIInChI=1S/C19H17N3O/c23-19-18-7-4-10-22(18)17-9-8-15(11-16(17)21-19)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2,(H,21,23)
InChIKeyDDSZVIITYZXMIN-UHFFFAOYSA-N
XLogP3.07
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156006) is 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12.
What is the InChIKey of 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is DDSZVIITYZXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19-18-7-4-10-22(18)17-9-8-15(11-16(17)21-19)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2,(H,21,23).
What are the key properties of 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(benzylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).