2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide

C17H14N4O5 — CID 2943669

IUPAC2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C17H14N4O5/c1-19-16(23)11-6-2-4-8-13(11)20(17(19)24)10-15(22)18-12-7-3-5-9-14(12)21(25)26/h2-9H,10H2,1H3,(H,18,22)
InChIKeyMFIHKIXXSIWTPB-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.25
Rot. Bonds4

About 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide

2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 2943669) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID2943669
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C17H14N4O5/c1-19-16(23)11-6-2-4-8-13(11)20(17(19)24)10-15(22)18-12-7-3-5-9-14(12)21(25)26/h2-9H,10H2,1H3,(H,18,22)
InChIKeyMFIHKIXXSIWTPB-UHFFFAOYSA-N
XLogP1.25
TPSA116.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.25
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-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide (CID 2943669) is 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide is Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2[N+](=O)[O-])c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is MFIHKIXXSIWTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-19-16(23)11-6-2-4-8-13(11)20(17(19)24)10-15(22)18-12-7-3-5-9-14(12)21(25)26/h2-9H,10H2,1H3,(H,18,22).
What are the key properties of 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 354.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).