N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C19H14FN3O5 — CID 55576746

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cn1cnc3ccc(F)cc3c1=O)OCO2
InChIInChI=1S/C19H14FN3O5/c1-10(24)12-5-16-17(28-9-27-16)6-15(12)22-18(25)7-23-8-21-14-3-2-11(20)4-13(14)19(23)26/h2-6,8H,7,9H2,1H3,(H,22,25)
InChIKeyHDQNXMWAKWYOJH-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.11
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55576746) has the molecular formula C19H14FN3O5 and a molecular weight of 383.34 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID55576746
Molecular FormulaC19H14FN3O5
Molecular Weight383.34 g/mol
Exact Mass383.09
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cn1cnc3ccc(F)cc3c1=O)OCO2
InChIInChI=1S/C19H14FN3O5/c1-10(24)12-5-16-17(28-9-27-16)6-15(12)22-18(25)7-23-8-21-14-3-2-11(20)4-13(14)19(23)26/h2-6,8H,7,9H2,1H3,(H,22,25)
InChIKeyHDQNXMWAKWYOJH-UHFFFAOYSA-N
XLogP2.11
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46512802
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55777259
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509646
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24570662
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839773

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 55576746) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3ccc(F)cc3c1=O)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HDQNXMWAKWYOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5/c1-10(24)12-5-16-17(28-9-27-16)6-15(12)22-18(25)7-23-8-21-14-3-2-11(20)4-13(14)19(23)26/h2-6,8H,7,9H2,1H3,(H,22,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 383.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55576746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).