5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C15H21ClN4O — CID 79342702

IUPAC5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCN1CCN(c2cc3c(cc2Cl)C(NC)C(=O)N3)CC1
InChIInChI=1S/C15H21ClN4O/c1-3-19-4-6-20(7-5-19)13-9-12-10(8-11(13)16)14(17-2)15(21)18-12/h8-9,14,17H,3-7H2,1-2H3,(H,18,21)
InChIKeyHSLZBRWGXKMWHW-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.69
Rot. Bonds3

About 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79342702) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79342702
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCN1CCN(c2cc3c(cc2Cl)C(NC)C(=O)N3)CC1
InChIInChI=1S/C15H21ClN4O/c1-3-19-4-6-20(7-5-19)13-9-12-10(8-11(13)16)14(17-2)15(21)18-12/h8-9,14,17H,3-7H2,1-2H3,(H,18,21)
InChIKeyHSLZBRWGXKMWHW-UHFFFAOYSA-N
XLogP1.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114410361
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-6-(2-ethylmorpholin-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342950
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349534
5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343879
5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349354
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79342702) is 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CCN1CCN(c2cc3c(cc2Cl)C(NC)C(=O)N3)CC1.
What is the InChIKey of 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is HSLZBRWGXKMWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-3-19-4-6-20(7-5-19)13-9-12-10(8-11(13)16)14(17-2)15(21)18-12/h8-9,14,17H,3-7H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 308.81 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).