2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one

C20H22N4O3 — CID 75768589

IUPAC2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C20H22N4O3/c1-14-6-7-16-15(13-14)22-18(25)20(2,27-16)19(26)24-11-9-23(10-12-24)17-5-3-4-8-21-17/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeySYGBNBZGSWACJN-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.83
Rot. Bonds2

About 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one

2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 75768589) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID75768589
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C20H22N4O3/c1-14-6-7-16-15(13-14)22-18(25)20(2,27-16)19(26)24-11-9-23(10-12-24)17-5-3-4-8-21-17/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeySYGBNBZGSWACJN-UHFFFAOYSA-N
XLogP1.83
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768244
6-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 75769113
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75768195
(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 95102393
6-chloro-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796642
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
CID 175651576
6-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,4-benzoxazin-2-one
CID 39068797
(3,5-dimethyl-1-adamantyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 6467515
methyl (2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 10944406
(1R,9R)-4,9-dimethyl-10-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 92505905
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (CID 75768589) is 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one is Cc1ccc2c(c1)NC(=O)C(C)(C(=O)N1CCN(c3ccccn3)CC1)O2.
What is the InChIKey of 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is SYGBNBZGSWACJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-6-7-16-15(13-14)22-18(25)20(2,27-16)19(26)24-11-9-23(10-12-24)17-5-3-4-8-21-17/h3-8,13H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 366.42 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 75768589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).