5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

C14H16ClN3O3 — CID 102889556

IUPAC5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESCN1CCCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1=O
InChIInChI=1S/C14H16ClN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21)
InChIKeyFANNEIWTGVNATR-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.99
Rot. Bonds1

About 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (PubChem CID 102889556) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
PubChem CID102889556
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESCN1CCCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1=O
InChIInChI=1S/C14H16ClN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21)
InChIKeyFANNEIWTGVNATR-UHFFFAOYSA-N
XLogP0.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (CID 102889556) is 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is CN1CCCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1=O.
What is the InChIKey of 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is FANNEIWTGVNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21).
What are the key properties of 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 309.75 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102889556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).