7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one

C12H16N2O2 — CID 84623560

IUPAC7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(OC)cc21
InChIInChI=1S/C12H16N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyBGBOEECHAJMHDP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.86
Rot. Bonds3

About 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one

7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84623560) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
PubChem CID84623560
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(OC)cc21
InChIInChI=1S/C12H16N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyBGBOEECHAJMHDP-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84632527
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
CID 68674815
3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 143543997
7-bromo-1-(3-methylbutyl)-3,4-dihydroquinoxalin-2-one
CID 117006307
5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623081
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
4-(3-methylbutyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007024

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one (CID 84623560) is 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one is CCCN1C(=O)CNc2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is BGBOEECHAJMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h4-5,7,13H,3,6,8H2,1-2H3.
What are the key properties of 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84623560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).