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

C13H18ClN3O3 — CID 119279078

IUPAC2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)OCC(=O)N2.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-2-3-9(14)13(18)15-8-4-5-10-11(6-8)19-7-12(17)16-10;/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyQASMHYKWJKPEGA-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride

2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride (PubChem CID 119279078) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
PubChem CID119279078
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)OCC(=O)N2.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-2-3-9(14)13(18)15-8-4-5-10-11(6-8)19-7-12(17)16-10;/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyQASMHYKWJKPEGA-UHFFFAOYSA-N
XLogP1.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pentanamide;hydrochloride
CID 119326451
4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfanyl]anilino]pentanoic acid
CID 23393966
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893078
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
trans-(1R,3R)-2,2-dimethyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95391684
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride (CID 119279078) is 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc2c(c1)OCC(=O)N2.Cl.
What is the InChIKey of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride?
The InChIKey is QASMHYKWJKPEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c1-2-3-9(14)13(18)15-8-4-5-10-11(6-8)19-7-12(17)16-10;/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride?
2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119279078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).