2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C16H21N3O4 — CID 110701832

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCCN2CCOCC2)NC1=O
InChIInChI=1S/C16H21N3O4/c1-11-15(20)18-13-4-2-3-12(14(13)23-11)16(21)17-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyYZPIKAMIBOYIOC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.47
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701832) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701832
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCCN2CCOCC2)NC1=O
InChIInChI=1S/C16H21N3O4/c1-11-15(20)18-13-4-2-3-12(14(13)23-11)16(21)17-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyYZPIKAMIBOYIOC-UHFFFAOYSA-N
XLogP0.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide with MolForge

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Related Compounds

N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 130215109
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701885
N-(2-morpholin-4-ylethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-4-carboxamide
CID 138594447
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-[1-(aminomethyl)cyclopentyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119568491
N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667177
2-methoxy-5-[[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]methyl]benzoic acid
CID 125152354
2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 71874564
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119612531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701832) is 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)NCCN2CCOCC2)NC1=O.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is YZPIKAMIBOYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-15(20)18-13-4-2-3-12(14(13)23-11)16(21)17-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).