N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

C18H13ClF3N3O3 — CID 25159237

IUPACN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
InChIKeyIDYGCGYCHOUWQB-UHFFFAOYSA-N
MW411.77 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (PubChem CID 25159237) has the molecular formula C18H13ClF3N3O3 and a molecular weight of 411.77 g/mol. Its IUPAC name is N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
PubChem CID25159237
Molecular FormulaC18H13ClF3N3O3
Molecular Weight411.77 g/mol
Exact Mass411.06
IUPAC NameN-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
InChIKeyIDYGCGYCHOUWQB-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (CID 25159237) is N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1.
What is the InChIKey of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The InChIKey is IDYGCGYCHOUWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27).
What are the key properties of N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide has a molecular weight of 411.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is sourced from PubChem (CID 25159237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).