N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C16H10Cl2N4O4 — CID 84601847

IUPACN-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N4O4/c17-12-3-1-9(5-13(12)18)20-15(23)7-21-8-19-14-4-2-10(22(25)26)6-11(14)16(21)24/h1-6,8H,7H2,(H,20,23)
InChIKeyOOQBUAFSBHNLLB-UHFFFAOYSA-N
MW393.19 g/mol
LogP3.25
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 84601847) has the molecular formula C16H10Cl2N4O4 and a molecular weight of 393.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID84601847
Molecular FormulaC16H10Cl2N4O4
Molecular Weight393.19 g/mol
Exact Mass392.01
IUPAC NameN-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N4O4/c17-12-3-1-9(5-13(12)18)20-15(23)7-21-8-19-14-4-2-10(22(25)26)6-11(14)16(21)24/h1-6,8H,7H2,(H,20,23)
InChIKeyOOQBUAFSBHNLLB-UHFFFAOYSA-N
XLogP3.25
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
N-(3-morpholin-4-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55307287
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 84601847) is N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OOQBUAFSBHNLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O4/c17-12-3-1-9(5-13(12)18)20-15(23)7-21-8-19-14-4-2-10(22(25)26)6-11(14)16(21)24/h1-6,8H,7H2,(H,20,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 393.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 84601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).