1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one

C13H17N3O — CID 61387624

IUPAC1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
SMILESCC(C)NCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-10(2)14-7-8-16-12-6-4-3-5-11(12)15-9-13(16)17/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyQBBRDWFACKZYOH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one

1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one (PubChem CID 61387624) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
PubChem CID61387624
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
SMILESCC(C)NCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-10(2)14-7-8-16-12-6-4-3-5-11(12)15-9-13(16)17/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyQBBRDWFACKZYOH-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one (CID 61387624) is 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one is CC(C)NCCn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one?
The InChIKey is QBBRDWFACKZYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)14-7-8-16-12-6-4-3-5-11(12)15-9-13(16)17/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one?
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 61387624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).