3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one

C14H20ClN3O2 — CID 81055148

IUPAC3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)OCCN(C)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H20ClN3O2/c1-8(2)20-5-4-18(3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19)
InChIKeySXECLRYJRGAHQV-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one

3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 81055148) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
PubChem CID81055148
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)OCCN(C)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H20ClN3O2/c1-8(2)20-5-4-18(3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19)
InChIKeySXECLRYJRGAHQV-UHFFFAOYSA-N
XLogP2.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one (CID 81055148) is 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one is CC(C)OCCN(C)c1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is SXECLRYJRGAHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-8(2)20-5-4-18(3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 297.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81055148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).