(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 94764092

IUPAC(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCN1C(=O)[C@@H](C)Nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-10(2)13(15)16/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1
InChIKeyOWTVVFBZDTZHLW-SNVBAGLBSA-N
MW218.30 g/mol
LogP2.63
Rot. Bonds3

About (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one

(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 94764092) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID94764092
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCN1C(=O)[C@@H](C)Nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-10(2)13(15)16/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1
InChIKeyOWTVVFBZDTZHLW-SNVBAGLBSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one (CID 94764092) is (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one is CCCCN1C(=O)[C@@H](C)Nc2ccccc21.
What is the InChIKey of (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is OWTVVFBZDTZHLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-10(2)13(15)16/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one?
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 94764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).