N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide

C23H22N4O4 — CID 167767848

IUPACN'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide
SMILESCCC1Oc2cc(C(C)NC(=O)C(=O)Nc3cccc4cccnc34)ccc2NC1=O
InChIInChI=1S/C23H22N4O4/c1-3-18-21(28)26-16-10-9-15(12-19(16)31-18)13(2)25-22(29)23(30)27-17-8-4-6-14-7-5-11-24-20(14)17/h4-13,18H,3H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyGTYWHLQENHTKJH-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.16
Rot. Bonds4

About N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide

N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide (PubChem CID 167767848) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide.

Molecular Properties

Compound NameN'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide
PubChem CID167767848
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide
SMILESCCC1Oc2cc(C(C)NC(=O)C(=O)Nc3cccc4cccnc34)ccc2NC1=O
InChIInChI=1S/C23H22N4O4/c1-3-18-21(28)26-16-10-9-15(12-19(16)31-18)13(2)25-22(29)23(30)27-17-8-4-6-14-7-5-11-24-20(14)17/h4-13,18H,3H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyGTYWHLQENHTKJH-UHFFFAOYSA-N
XLogP3.16
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119806820
N-[(1R)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]-2-propylsulfanylacetamide
CID 96519987
N-quinolin-8-yl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511303
2-ethoxy-N-[(1R)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]benzamide
CID 96519991
4-amino-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]butanamide
CID 119336842
(2S)-2-amino-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-4-methylpentanamide
CID 119806857
2-(4-aminophenyl)-N-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]acetamide;hydrochloride
CID 119806806
(1R,2R,4S)-N-[(1S)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 129397209
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl]ethyl]propanamide
CID 97026051
(2S)-2-ethyl-7-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 97334435
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide?
The IUPAC name of N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide (CID 167767848) is N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide.
What is the SMILES notation for N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide?
The canonical SMILES for N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide is CCC1Oc2cc(C(C)NC(=O)C(=O)Nc3cccc4cccnc34)ccc2NC1=O.
What is the InChIKey of N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide?
The InChIKey is GTYWHLQENHTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-3-18-21(28)26-16-10-9-15(12-19(16)31-18)13(2)25-22(29)23(30)27-17-8-4-6-14-7-5-11-24-20(14)17/h4-13,18H,3H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide?
N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide has a molecular weight of 418.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]-N-quinolin-8-yloxamide is sourced from PubChem (CID 167767848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).