3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one

C20H17N3O — CID 134852173

IUPAC3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-3-12-23-18-11-7-5-9-16(18)21-19(20(23)24)15-13-22(2)17-10-6-4-8-14(15)17/h3-11,13H,1,12H2,2H3
InChIKeyAUZGHPOFMRPTBH-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds3

About 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one

3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one (PubChem CID 134852173) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
PubChem CID134852173
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-3-12-23-18-11-7-5-9-16(18)21-19(20(23)24)15-13-22(2)17-10-6-4-8-14(15)17/h3-11,13H,1,12H2,2H3
InChIKeyAUZGHPOFMRPTBH-UHFFFAOYSA-N
XLogP3.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
3-(3-nitrophenyl)-1-prop-2-enylquinoxalin-2-one
CID 129286517
2-methoxy-8-methyl-6-(1-methylindol-3-yl)pteridin-7-one
CID 3233427
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
CID 54477550
3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile
CID 3235421
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one (CID 134852173) is 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one?
The InChIKey is AUZGHPOFMRPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-3-12-23-18-11-7-5-9-16(18)21-19(20(23)24)15-13-22(2)17-10-6-4-8-14(15)17/h3-11,13H,1,12H2,2H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one?
3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 134852173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).