5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione

C15H17FN2O2 — CID 80747278

IUPAC5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
SMILESCC1CCCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H17FN2O2/c1-9-3-2-5-18(6-4-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,2-6H2,1H3,(H,17,19,20)
InChIKeyNSHRCXVLWWYHIR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.59
Rot. Bonds1

About 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione

5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione (PubChem CID 80747278) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
PubChem CID80747278
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
SMILESCC1CCCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H17FN2O2/c1-9-3-2-5-18(6-4-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,2-6H2,1H3,(H,17,19,20)
InChIKeyNSHRCXVLWWYHIR-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione 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

5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 80729747
6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
CID 80747271
5-fluoro-6-(3-methylthiomorpholin-4-yl)-1H-indole-2,3-dione
CID 80758039
5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione
CID 114410247
5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
2-amino-4-fluoro-5-(4-methylazepan-1-yl)benzoic acid
CID 63627237
5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974
5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
CID 79342976
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione (CID 80747278) is 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione is CC1CCCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1.
What is the InChIKey of 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione?
The InChIKey is NSHRCXVLWWYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-3-2-5-18(6-4-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,2-6H2,1H3,(H,17,19,20).
What are the key properties of 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione?
5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione has a molecular weight of 276.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 80747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).