N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119668796

IUPACN-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc2c1OC(C)C(=O)N2.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-4-6-11(9-17)18-16(21)12-7-5-8-13-14(12)22-10(2)15(20)19-13;/h5,7-8,10-11H,3-4,6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyFVQNXIGSZQOHLZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.08
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 119668796) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID119668796
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc2c1OC(C)C(=O)N2.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-4-6-11(9-17)18-16(21)12-7-5-8-13-14(12)22-10(2)15(20)19-13;/h5,7-8,10-11H,3-4,6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyFVQNXIGSZQOHLZ-UHFFFAOYSA-N
XLogP2.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride with MolForge

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Related Compounds

2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119997128
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
4-methoxy-2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]butanoic acid
CID 120702865
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263
N-[1-(aminomethyl)cyclopentyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119568491
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
8-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119487285
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 119668796) is N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc2c1OC(C)C(=O)N2.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is FVQNXIGSZQOHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-3-4-6-11(9-17)18-16(21)12-7-5-8-13-14(12)22-10(2)15(20)19-13;/h5,7-8,10-11H,3-4,6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 119668796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).