N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide

C20H16N4O5 — CID 5335850

IUPACN-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)N(C(C)=O)n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H16N4O5/c1-13(25)22(14(2)26)23-19(21-18-6-4-3-5-17(18)20(23)27)12-9-15-7-10-16(11-8-15)24(28)29/h3-12H,1-2H3/b12-9+
InChIKeyZUEIMSNCSWEZKT-FMIVXFBMSA-N
MW392.37 g/mol
LogP2.51
Rot. Bonds4

About N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide

N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 5335850) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID5335850
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)N(C(C)=O)n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H16N4O5/c1-13(25)22(14(2)26)23-19(21-18-6-4-3-5-17(18)20(23)27)12-9-15-7-10-16(11-8-15)24(28)29/h3-12H,1-2H3/b12-9+
InChIKeyZUEIMSNCSWEZKT-FMIVXFBMSA-N
XLogP2.51
TPSA115.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
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-Methyl-3-(3-nitro-phenyl)-3H-quinazolin-4-one
CID 63719
8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135457978
2-Methyl-3-(4-nitrophenyl)quinazolin-4-one
CID 63708
3-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5343305
2-methyl-3-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}quinazolin-4(3H)-one
CID 6870343
2-(4-Nitrophenyl)quinazolin-4(1H)-one
CID 135402338
4(3H)-Quinazolinone, 2-methyl-3-(4-methylphenyl)-
CID 63219
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
2-Methyl-3-(4-nitro-benzyl)-3H-quinazolin-4-one
CID 860197
3-hydroxy-2-(4-methylphenyl)-4(3H)-quinazolinone
CID 1487337
1,3-dinitro-11H-pyrido[2,1-b]quinazolin-11-one
CID 2232771
3-ethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378952

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide (CID 5335850) is N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide is CC(=O)N(C(C)=O)n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O.
What is the InChIKey of N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is ZUEIMSNCSWEZKT-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-13(25)22(14(2)26)23-19(21-18-6-4-3-5-17(18)20(23)27)12-9-15-7-10-16(11-8-15)24(28)29/h3-12H,1-2H3/b12-9+.
What are the key properties of N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide?
N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 392.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 5335850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).