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

C13H18ClN3O — CID 79349800

IUPAC5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(C)c1cc2c(cc1Cl)C(NC)C(=O)N2
InChIInChI=1S/C13H18ClN3O/c1-4-5-17(3)11-7-10-8(6-9(11)14)12(15-2)13(18)16-10/h6-7,12,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyXLLRIELGJTZVQQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.40
Rot. Bonds4

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

5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79349800) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
PubChem CID79349800
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(C)c1cc2c(cc1Cl)C(NC)C(=O)N2
InChIInChI=1S/C13H18ClN3O/c1-4-5-17(3)11-7-10-8(6-9(11)14)12(15-2)13(18)16-10/h6-7,12,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyXLLRIELGJTZVQQ-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
5-chloro-3-(methylamino)-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one
CID 79344116
5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348594
2-[[5-chloro-3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 79349440
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348925
5-chloro-3-(ethylamino)-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 79342971
5-chloro-6-(diethylamino)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79349525
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
3-[[5-bromo-3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]-methylamino]propanenitrile
CID 79342790
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one (CID 79349800) is 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one is CCCN(C)c1cc2c(cc1Cl)C(NC)C(=O)N2.
What is the InChIKey of 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is XLLRIELGJTZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-5-17(3)11-7-10-8(6-9(11)14)12(15-2)13(18)16-10/h6-7,12,15H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).