6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride

C20H22ClN3O4 — CID 120733628

IUPAC6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-26-17-5-3-2-4-14(17)16-11-21-8-9-23(16)20(25)13-6-7-18-15(10-13)22-19(24)12-27-18;/h2-7,10,16,21H,8-9,11-12H2,1H3,(H,22,24);1H
InChIKeyCTXGGUCTSDSXQH-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.23
Rot. Bonds3

About 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride

6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride (PubChem CID 120733628) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
PubChem CID120733628
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-26-17-5-3-2-4-14(17)16-11-21-8-9-23(16)20(25)13-6-7-18-15(10-13)22-19(24)12-27-18;/h2-7,10,16,21H,8-9,11-12H2,1H3,(H,22,24);1H
InChIKeyCTXGGUCTSDSXQH-UHFFFAOYSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride with MolForge

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Related Compounds

2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732955
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120733724
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The IUPAC name of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride (CID 120733628) is 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The canonical SMILES for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CO2.Cl.
What is the InChIKey of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The InChIKey is CTXGGUCTSDSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.ClH/c1-26-17-5-3-2-4-14(17)16-11-21-8-9-23(16)20(25)13-6-7-18-15(10-13)22-19(24)12-27-18;/h2-7,10,16,21H,8-9,11-12H2,1H3,(H,22,24);1H.
What are the key properties of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride is sourced from PubChem (CID 120733628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).