N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide

C26H23FN4O3 — CID 55891024

IUPACN-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C26H23FN4O3/c1-2-31(21-6-4-3-5-7-21)25(33)14-18-8-11-20(12-9-18)29-24(32)16-30-17-28-23-13-10-19(27)15-22(23)26(30)34/h3-13,15,17H,2,14,16H2,1H3,(H,29,32)
InChIKeyOTELKZVOEUEVCH-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.77
Rot. Bonds7

About N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide

N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide (PubChem CID 55891024) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
PubChem CID55891024
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C26H23FN4O3/c1-2-31(21-6-4-3-5-7-21)25(33)14-18-8-11-20(12-9-18)29-24(32)16-30-17-28-23-13-10-19(27)15-22(23)26(30)34/h3-13,15,17H,2,14,16H2,1H3,(H,29,32)
InChIKeyOTELKZVOEUEVCH-UHFFFAOYSA-N
XLogP3.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide with MolForge

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Related Compounds

N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide (CID 55891024) is N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide is CCN(C(=O)Cc1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide?
The InChIKey is OTELKZVOEUEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-2-31(21-6-4-3-5-7-21)25(33)14-18-8-11-20(12-9-18)29-24(32)16-30-17-28-23-13-10-19(27)15-22(23)26(30)34/h3-13,15,17H,2,14,16H2,1H3,(H,29,32).
What are the key properties of N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide?
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide has a molecular weight of 458.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 55891024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).