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

C18H18N4O7 — CID 110831814

IUPACN-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)c(OC)c1
InChIInChI=1S/C18H18N4O7/c1-10-18(24)21(17-13(29-10)6-7-15(20-17)22(25)26)9-16(23)19-12-5-4-11(27-2)8-14(12)28-3/h4-8,10H,9H2,1-3H3,(H,19,23)
InChIKeyJBGLWJKOVJRNDA-UHFFFAOYSA-N
MW402.36 g/mol
LogP1.76
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 110831814) has the molecular formula C18H18N4O7 and a molecular weight of 402.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID110831814
Molecular FormulaC18H18N4O7
Molecular Weight402.36 g/mol
Exact Mass402.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)c(OC)c1
InChIInChI=1S/C18H18N4O7/c1-10-18(24)21(17-13(29-10)6-7-15(20-17)22(25)26)9-16(23)19-12-5-4-11(27-2)8-14(12)28-3/h4-8,10H,9H2,1-3H3,(H,19,23)
InChIKeyJBGLWJKOVJRNDA-UHFFFAOYSA-N
XLogP1.76
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831830
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 110831873
N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
CID 110831878
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(2,4-dimethoxyphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51265045
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110831550
N-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 110831553
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 2148321
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
CID 74512669
N-(2,4-dimethoxyphenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98159653
N-(2,4-dimethoxyphenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
CID 3850668

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 110831814) is N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc([N+](=O)[O-])nc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is JBGLWJKOVJRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O7/c1-10-18(24)21(17-13(29-10)6-7-15(20-17)22(25)26)9-16(23)19-12-5-4-11(27-2)8-14(12)28-3/h4-8,10H,9H2,1-3H3,(H,19,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 402.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 110831814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).