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

C15H17N3O — CID 25156005

IUPAC7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C15H17N3O/c1-10(2)16-9-11-5-6-13-12(8-11)17-15(19)14-4-3-7-18(13)14/h3-8,10,16H,9H2,1-2H3,(H,17,19)
InChIKeyDQNADOPSFIWVNE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.28
Rot. Bonds3

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

7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156005) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156005
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C15H17N3O/c1-10(2)16-9-11-5-6-13-12(8-11)17-15(19)14-4-3-7-18(13)14/h3-8,10,16H,9H2,1-2H3,(H,17,19)
InChIKeyDQNADOPSFIWVNE-UHFFFAOYSA-N
XLogP2.28
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156005) is 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is CC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12.
What is the InChIKey of 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is DQNADOPSFIWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)16-9-11-5-6-13-12(8-11)17-15(19)14-4-3-7-18(13)14/h3-8,10,16H,9H2,1-2H3,(H,17,19).
What are the key properties of 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(propan-2-ylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).