6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

C22H27N3O2 — CID 102332297

IUPAC6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C1CC(C)(C)NC(C)(C)C1)C2=O
InChIInChI=1S/C22H27N3O2/c1-21(2)11-13(12-22(3,4)24-21)25-19(26)15-8-6-7-14-17(23-5)10-9-16(18(14)15)20(25)27/h6-10,13,23-24H,11-12H2,1-5H3
InChIKeyNTHUQFOYDUWBIK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.79
Rot. Bonds2

About 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 102332297) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID102332297
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C1CC(C)(C)NC(C)(C)C1)C2=O
InChIInChI=1S/C22H27N3O2/c1-21(2)11-13(12-22(3,4)24-21)25-19(26)15-8-6-7-14-17(23-5)10-9-16(18(14)15)20(25)27/h6-10,13,23-24H,11-12H2,1-5H3
InChIKeyNTHUQFOYDUWBIK-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 101197155
6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 19769371
2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
CID 4033927
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496
6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 19769415
1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl bromide
CID 19003320
N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide
CID 19003324
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
CID 23364586
5-amino-16-cyclohexyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 15476515
6-(butylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 89468093
16-methyl-5-(2-methyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 58151073

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (CID 102332297) is 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is CNc1ccc2c3c(cccc13)C(=O)N(C1CC(C)(C)NC(C)(C)C1)C2=O.
What is the InChIKey of 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is NTHUQFOYDUWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-21(2)11-13(12-22(3,4)24-21)25-19(26)15-8-6-7-14-17(23-5)10-9-16(18(14)15)20(25)27/h6-10,13,23-24H,11-12H2,1-5H3.
What are the key properties of 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 365.48 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102332297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).