4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride

C12H16ClN3O3 — CID 119279086

IUPAC4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H15N3O3.ClH/c13-5-1-2-11(16)14-8-3-4-9-10(6-8)18-7-12(17)15-9;/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17);1H
InChIKeyVLZXIGDZUCBOTN-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride

4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride (PubChem CID 119279086) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
PubChem CID119279086
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H15N3O3.ClH/c13-5-1-2-11(16)14-8-3-4-9-10(6-8)18-7-12(17)15-9;/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17);1H
InChIKeyVLZXIGDZUCBOTN-UHFFFAOYSA-N
XLogP1.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
CID 119279078
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 29357799
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
CID 119788407
N-(3-chloro-4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126457865
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 110493138

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride (CID 119279086) is 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride?
The InChIKey is VLZXIGDZUCBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c13-5-1-2-11(16)14-8-3-4-9-10(6-8)18-7-12(17)15-9;/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17);1H.
What are the key properties of 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride?
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride is sourced from PubChem (CID 119279086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).