3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one

C14H16N2O2 — CID 54477550

IUPAC3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(CCCO)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-2-9-16-13-8-4-3-6-11(13)15-12(14(16)18)7-5-10-17/h2-4,6,8,17H,1,5,7,9-10H2
InChIKeyXMQVBWZVCJJBFM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.51
Rot. Bonds5

About 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one

3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one (PubChem CID 54477550) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
PubChem CID54477550
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(CCCO)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-2-9-16-13-8-4-3-6-11(13)15-12(14(16)18)7-5-10-17/h2-4,6,8,17H,1,5,7,9-10H2
InChIKeyXMQVBWZVCJJBFM-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
CID 134852173
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
CID 162372194
3-(3-nitrophenyl)-1-prop-2-enylquinoxalin-2-one
CID 129286517

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one (CID 54477550) is 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(CCCO)nc2ccccc21.
What is the InChIKey of 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one?
The InChIKey is XMQVBWZVCJJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-9-16-13-8-4-3-6-11(13)15-12(14(16)18)7-5-10-17/h2-4,6,8,17H,1,5,7,9-10H2.
What are the key properties of 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one?
3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 54477550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).