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

C16H22ClN3O — CID 79342494

IUPAC5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C3CCCCC3)c(Cl)cc21
InChIInChI=1S/C16H22ClN3O/c1-18-15-11-8-12(17)14(9-13(11)19-16(15)21)20(2)10-6-4-3-5-7-10/h8-10,15,18H,3-7H2,1-2H3,(H,19,21)
InChIKeyIVYQTEFWSCKRKO-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.32
Rot. Bonds3

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

5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79342494) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79342494
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C3CCCCC3)c(Cl)cc21
InChIInChI=1S/C16H22ClN3O/c1-18-15-11-8-12(17)14(9-13(11)19-16(15)21)20(2)10-6-4-3-5-7-10/h8-10,15,18H,3-7H2,1-2H3,(H,19,21)
InChIKeyIVYQTEFWSCKRKO-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 79342494) is 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N(C)C3CCCCC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is IVYQTEFWSCKRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-18-15-11-8-12(17)14(9-13(11)19-16(15)21)20(2)10-6-4-3-5-7-10/h8-10,15,18H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 307.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).