N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide

C18H16N4O6 — CID 110831878

IUPACN-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)cc1
InChIInChI=1S/C18H16N4O6/c1-10-18(25)21(17-15(28-10)7-8-16(20-17)22(26)27)9-14(24)12-3-5-13(6-4-12)19-11(2)23/h3-8,10H,9H2,1-2H3,(H,19,23)
InChIKeyIRLKZRVEAZEMJT-UHFFFAOYSA-N
MW384.35 g/mol
LogP1.95
Rot. Bonds5

About N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide

N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide (PubChem CID 110831878) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
PubChem CID110831878
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC NameN-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)cc1
InChIInChI=1S/C18H16N4O6/c1-10-18(25)21(17-15(28-10)7-8-16(20-17)22(26)27)9-14(24)12-3-5-13(6-4-12)19-11(2)23/h3-8,10H,9H2,1-2H3,(H,19,23)
InChIKeyIRLKZRVEAZEMJT-UHFFFAOYSA-N
XLogP1.95
TPSA131.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 110831873
2-ethyl-6-nitro-4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 110831927
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831830
4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]-6-nitro-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
CID 110831810
2,2-dimethyl-6-nitro-4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 110832010
2-ethyl-6-nitro-4-(3-oxobutyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 110831951
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536
N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]phenyl]acetamide
CID 9419984
2-methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
3,4-dimethyl-1-[2-(4-nitrophenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79178979
2-methyl-6-(methylamino)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 115234598

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide (CID 110831878) is N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)cc1.
What is the InChIKey of N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide?
The InChIKey is IRLKZRVEAZEMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-10-18(25)21(17-15(28-10)7-8-16(20-17)22(26)27)9-14(24)12-3-5-13(6-4-12)19-11(2)23/h3-8,10H,9H2,1-2H3,(H,19,23).
What are the key properties of N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide?
N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide has a molecular weight of 384.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 110831878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).