3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one

C22H23N3O — CID 134852171

IUPAC3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
SMILESCCCCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-3-4-9-14-25-20-13-8-6-11-18(20)23-21(22(25)26)17-15-24(2)19-12-7-5-10-16(17)19/h5-8,10-13,15H,3-4,9,14H2,1-2H3
InChIKeyDGSJNTVFMIAYIA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.75
Rot. Bonds5

About 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one

3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one (PubChem CID 134852171) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
PubChem CID134852171
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
SMILESCCCCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-3-4-9-14-25-20-13-8-6-11-18(20)23-21(22(25)26)17-15-24(2)19-12-7-5-10-16(17)19/h5-8,10-13,15H,3-4,9,14H2,1-2H3
InChIKeyDGSJNTVFMIAYIA-UHFFFAOYSA-N
XLogP4.75
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
CID 134852173
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile
CID 3235421
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
10-dodecylphenazin-2-one
CID 10570808
[1-[3-[4-(5-aminopentyl)-3-oxoquinoxalin-2-yl]indol-1-yl]-2-(diethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67610326
2-ethyl-3-pentylquinazolin-4-one
CID 529110

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one?
The IUPAC name of 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one (CID 134852171) is 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one is CCCCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one?
The InChIKey is DGSJNTVFMIAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-4-9-14-25-20-13-8-6-11-18(20)23-21(22(25)26)17-15-24(2)19-12-7-5-10-16(17)19/h5-8,10-13,15H,3-4,9,14H2,1-2H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one?
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.75, 5 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-pentylquinoxalin-2-one is sourced from PubChem (CID 134852171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).