4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole

C28H42N4O2 — CID 144655363

IUPAC4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole
SMILESCC.CC.Cc1ccc2cnn(C3CCN(C)CC3)c2c1.Cc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C14H19N3.C10H11NO2.2C2H6/c1-11-3-4-12-10-15-17(14(12)9-11)13-5-7-16(2)8-6-13;1-7-4-3-5-8-10(7)11(2)9(12)6-13-8;2*1-2/h3-4,9-10,13H,5-8H2,1-2H3;3-5H,6H2,1-2H3;2*1-2H3
InChIKeyFBPOALAZWQFKTP-UHFFFAOYSA-N
MW466.67 g/mol
LogP6.01
Rot. Bonds1

About 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole

4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole (PubChem CID 144655363) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole.

Molecular Properties

Compound Name4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole
PubChem CID144655363
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Name4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole
SMILESCC.CC.Cc1ccc2cnn(C3CCN(C)CC3)c2c1.Cc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C14H19N3.C10H11NO2.2C2H6/c1-11-3-4-12-10-15-17(14(12)9-11)13-5-7-16(2)8-6-13;1-7-4-3-5-8-10(7)11(2)9(12)6-13-8;2*1-2/h3-4,9-10,13H,5-8H2,1-2H3;3-5H,6H2,1-2H3;2*1-2H3
InChIKeyFBPOALAZWQFKTP-UHFFFAOYSA-N
XLogP6.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole?
The IUPAC name of 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole (CID 144655363) is 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole.
What is the SMILES notation for 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole?
The canonical SMILES for 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole is CC.CC.Cc1ccc2cnn(C3CCN(C)CC3)c2c1.Cc1cccc2c1N(C)C(=O)CO2.
What is the InChIKey of 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole?
The InChIKey is FBPOALAZWQFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C10H11NO2.2C2H6/c1-11-3-4-12-10-15-17(14(12)9-11)13-5-7-16(2)8-6-13;1-7-4-3-5-8-10(7)11(2)9(12)6-13-8;2*1-2/h3-4,9-10,13H,5-8H2,1-2H3;3-5H,6H2,1-2H3;2*1-2H3.
What are the key properties of 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole?
4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole has a molecular weight of 466.67 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole is sourced from PubChem (CID 144655363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).