N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide

C18H16FN3O2 — CID 3046281

IUPACN-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CF)n(-c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C18H16FN3O2/c1-11-5-3-4-6-16(11)22-17(10-19)21-15-8-7-13(20-12(2)23)9-14(15)18(22)24/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyWHCHGOLNOQKQIW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds3

About N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide

N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide (PubChem CID 3046281) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide
PubChem CID3046281
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CF)n(-c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C18H16FN3O2/c1-11-5-3-4-6-16(11)22-17(10-19)21-15-8-7-13(20-12(2)23)9-14(15)18(22)24/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyWHCHGOLNOQKQIW-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-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

Methaqualone
CID 6292
Afloqualone
CID 2040
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Azd-6703
CID 11373432
ME0328
CID 135566764
Arborine
CID 63123
Glycosminine
CID 135426527
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986

Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide (CID 3046281) is N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(CF)n(-c3ccccc3C)c(=O)c2c1.
What is the InChIKey of N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is WHCHGOLNOQKQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-5-3-4-6-16(11)22-17(10-19)21-15-8-7-13(20-12(2)23)9-14(15)18(22)24/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide?
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 3046281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).