5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

C12H15ClN2O2 — CID 82173711

IUPAC5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-6-8-3-7(10(14)5-17-2)4-9(13)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16)
InChIKeyYUYJBWQYQAECQD-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.04
Rot. Bonds3

About 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173711) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173711
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-6-8-3-7(10(14)5-17-2)4-9(13)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16)
InChIKeyYUYJBWQYQAECQD-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-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-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82173711) is 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is COCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is YUYJBWQYQAECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-6-8-3-7(10(14)5-17-2)4-9(13)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 254.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).