N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide

C22H23ClFN3O2 — CID 42714026

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccccc1F)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H23ClFN3O2/c1-13(2)12-27(22(29)16-7-5-6-8-18(16)24)14(3)20-25-19-10-9-15(23)11-17(19)21(28)26(20)4/h5-11,13-14H,12H2,1-4H3
InChIKeyQKZHWAXUQBKONN-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 42714026) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID42714026
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccccc1F)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H23ClFN3O2/c1-13(2)12-27(22(29)16-7-5-6-8-18(16)24)14(3)20-25-19-10-9-15(23)11-17(19)21(28)26(20)4/h5-11,13-14H,12H2,1-4H3
InChIKeyQKZHWAXUQBKONN-UHFFFAOYSA-N
XLogP4.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide 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

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
1-benzyl-1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 42714098
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
methyl 3-[2-[1-[(2,4-dichlorobenzoyl)-(2-methylpropyl)amino]ethyl]-4-oxoquinazolin-3-yl]propanoate
CID 42725686
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 42717672
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
N-(6-aminohexyl)-2-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 5115824

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 42714026) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccccc1F)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is QKZHWAXUQBKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-13(2)12-27(22(29)16-7-5-6-8-18(16)24)14(3)20-25-19-10-9-15(23)11-17(19)21(28)26(20)4/h5-11,13-14H,12H2,1-4H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42714026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).