3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride

C16H22ClN3O3 — CID 119694609

IUPAC3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)C3CCCC(N)C3)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-9-15(20)19-13-8-12(5-6-14(13)22-9)18-16(21)10-3-2-4-11(17)7-10;/h5-6,8-11H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyXRWZLGFXGQBPCG-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.28
Rot. Bonds2

About 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119694609) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119694609
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)C3CCCC(N)C3)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-9-15(20)19-13-8-12(5-6-14(13)22-9)18-16(21)10-3-2-4-11(17)7-10;/h5-6,8-11H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyXRWZLGFXGQBPCG-UHFFFAOYSA-N
XLogP2.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
1-ethylsulfonyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-4-carboxamide
CID 25483106
1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
6-[1-(3-aminocyclohexanecarbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119771370
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
6-[(4-aminocyclohexyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 79724163

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119694609) is 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride is CC1Oc2ccc(NC(=O)C3CCCC(N)C3)cc2NC1=O.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XRWZLGFXGQBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-9-15(20)19-13-8-12(5-6-14(13)22-9)18-16(21)10-3-2-4-11(17)7-10;/h5-6,8-11H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).