5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

C12H14N2O4 — CID 82157853

IUPAC5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESO=C1CNc2cc3c(cc2N1CCCO)OCO3
InChIInChI=1S/C12H14N2O4/c15-3-1-2-14-9-5-11-10(17-7-18-11)4-8(9)13-6-12(14)16/h4-5,13,15H,1-3,6-7H2
InChIKeyCYCVSDZPIPRLRC-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.56
Rot. Bonds3

About 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (PubChem CID 82157853) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
PubChem CID82157853
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESO=C1CNc2cc3c(cc2N1CCCO)OCO3
InChIInChI=1S/C12H14N2O4/c15-3-1-2-14-9-5-11-10(17-7-18-11)4-8(9)13-6-12(14)16/h4-5,13,15H,1-3,6-7H2
InChIKeyCYCVSDZPIPRLRC-UHFFFAOYSA-N
XLogP0.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157858
N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
CID 82157822
6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157794
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838
1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 117031491
4-(3-hydroxypropyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163477
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
4-(3-hydroxypropyl)-6-(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115216942
6-amino-4-(6-hydroxyhexyl)-1,4-benzoxazin-3-one
CID 107703729
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The IUPAC name of 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (CID 82157853) is 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is O=C1CNc2cc3c(cc2N1CCCO)OCO3.
What is the InChIKey of 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The InChIKey is CYCVSDZPIPRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-3-1-2-14-9-5-11-10(17-7-18-11)4-8(9)13-6-12(14)16/h4-5,13,15H,1-3,6-7H2.
What are the key properties of 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one has a molecular weight of 250.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 82157853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).