7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

C19H24N4O2 — CID 45269470

IUPAC7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12
InChIInChI=1S/C19H24N4O2/c24-19-18-3-1-8-23(18)17-5-4-15(13-16(17)21-19)14-20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13,20H,2,6-7,9-12,14H2,(H,21,24)
InChIKeySGHVUJRJNUMGJF-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.59
Rot. Bonds6

About 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 45269470) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID45269470
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12
InChIInChI=1S/C19H24N4O2/c24-19-18-3-1-8-23(18)17-5-4-15(13-16(17)21-19)14-20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13,20H,2,6-7,9-12,14H2,(H,21,24)
InChIKeySGHVUJRJNUMGJF-UHFFFAOYSA-N
XLogP1.59
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 24849157
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-(2-phenylethyl)propanamide
CID 16017974
N-(4-ethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018022
N-[2-(4-fluorophenyl)-2-(morpholin-4-yl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24819924
2-morpholino-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)acetamide
CID 24851881
7-((cyclopropylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156001
7-(piperidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156002
7-((isopropylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156005
7-((benzylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156006
8-((cyclopropylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156280
8-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156282
8-(piperidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 25156286

Frequently Asked Questions

What is the IUPAC name of 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 45269470) is 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12.
What is the InChIKey of 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is SGHVUJRJNUMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19-18-3-1-8-23(18)17-5-4-15(13-16(17)21-19)14-20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13,20H,2,6-7,9-12,14H2,(H,21,24).
What are the key properties of 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 340.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-morpholin-4-ylpropylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 45269470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).