7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

C14H18N2O3 — CID 82157916

IUPAC7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESCCCN1C(=O)C(CC)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C14H18N2O3/c1-3-5-16-11-7-13-12(18-8-19-13)6-10(11)15-9(4-2)14(16)17/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeySLQKUYHGAZMMRK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.36
Rot. Bonds3

About 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (PubChem CID 82157916) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
PubChem CID82157916
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESCCCN1C(=O)C(CC)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C14H18N2O3/c1-3-5-16-11-7-13-12(18-8-19-13)6-10(11)15-9(4-2)14(16)17/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeySLQKUYHGAZMMRK-UHFFFAOYSA-N
XLogP2.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetonitrile
CID 82157921
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756
5-[2-(dimethylamino)ethyl]-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157951
7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157863
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
1-(1,3-benzodioxol-5-yl)-3-ethylpiperazine-2,5-dione
CID 64959422
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157244

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (CID 82157916) is 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is CCCN1C(=O)C(CC)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The InChIKey is SLQKUYHGAZMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-5-16-11-7-13-12(18-8-19-13)6-10(11)15-9(4-2)14(16)17/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one has a molecular weight of 262.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 82157916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).