2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

C18H15BrN4O5 — CID 30763526

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15BrN4O5/c1-2-28-12-4-6-15(16(8-12)23(26)27)21-17(24)9-22-10-20-14-5-3-11(19)7-13(14)18(22)25/h3-8,10H,2,9H2,1H3,(H,21,24)
InChIKeyVKPLDIHIHDFEOW-UHFFFAOYSA-N
MW447.25 g/mol
LogP3.10
Rot. Bonds6

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide (PubChem CID 30763526) has the molecular formula C18H15BrN4O5 and a molecular weight of 447.25 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
PubChem CID30763526
Molecular FormulaC18H15BrN4O5
Molecular Weight447.25 g/mol
Exact Mass446.02
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15BrN4O5/c1-2-28-12-4-6-15(16(8-12)23(26)27)21-17(24)9-22-10-20-14-5-3-11(19)7-13(14)18(22)25/h3-8,10H,2,9H2,1H3,(H,21,24)
InChIKeyVKPLDIHIHDFEOW-UHFFFAOYSA-N
XLogP3.10
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.25
LogP ≤ 53.10
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

N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 19525497
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide (CID 30763526) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide is CCOc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is VKPLDIHIHDFEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O5/c1-2-28-12-4-6-15(16(8-12)23(26)27)21-17(24)9-22-10-20-14-5-3-11(19)7-13(14)18(22)25/h3-8,10H,2,9H2,1H3,(H,21,24).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 447.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 30763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).