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

C15H15N3O — CID 25156001

IUPAC7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNC3CC3)ccc2n2cccc12
InChIInChI=1S/C15H15N3O/c19-15-14-2-1-7-18(14)13-6-3-10(8-12(13)17-15)9-16-11-4-5-11/h1-3,6-8,11,16H,4-5,9H2,(H,17,19)
InChIKeyPZMMEFILQJSARI-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.03
Rot. Bonds3

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

7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156001) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156001
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNC3CC3)ccc2n2cccc12
InChIInChI=1S/C15H15N3O/c19-15-14-2-1-7-18(14)13-6-3-10(8-12(13)17-15)9-16-11-4-5-11/h1-3,6-8,11,16H,4-5,9H2,(H,17,19)
InChIKeyPZMMEFILQJSARI-UHFFFAOYSA-N
XLogP2.03
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156001) is 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CNC3CC3)ccc2n2cccc12.
What is the InChIKey of 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is PZMMEFILQJSARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15-14-2-1-7-18(14)13-6-3-10(8-12(13)17-15)9-16-11-4-5-11/h1-3,6-8,11,16H,4-5,9H2,(H,17,19).
What are the key properties of 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 253.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclopropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).