2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide

C32H25Cl2F3N4O3 — CID 22052281

IUPAC2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N(Cc1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C32H25Cl2F3N4O3/c1-20(40(18-22-5-4-14-38-17-22)29(42)16-21-8-13-26(33)27(34)15-21)30-39-28-7-3-2-6-25(28)31(43)41(30)23-9-11-24(12-10-23)44-19-32(35,36)37/h2-15,17,20H,16,18-19H2,1H3
InChIKeyOFKUBQJQXSFFOD-UHFFFAOYSA-N
MW641.48 g/mol
LogP7.36
Rot. Bonds9

About 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide

2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 22052281) has the molecular formula C32H25Cl2F3N4O3 and a molecular weight of 641.48 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID22052281
Molecular FormulaC32H25Cl2F3N4O3
Molecular Weight641.48 g/mol
Exact Mass640.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N(Cc1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C32H25Cl2F3N4O3/c1-20(40(18-22-5-4-14-38-17-22)29(42)16-21-8-13-26(33)27(34)15-21)30-39-28-7-3-2-6-25(28)31(43)41(30)23-9-11-24(12-10-23)44-19-32(35,36)37/h2-15,17,20H,16,18-19H2,1H3
InChIKeyOFKUBQJQXSFFOD-UHFFFAOYSA-N
XLogP7.36
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.48
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide 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 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 22052281) is 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide is CC(c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N(Cc1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OFKUBQJQXSFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2F3N4O3/c1-20(40(18-22-5-4-14-38-17-22)29(42)16-21-8-13-26(33)27(34)15-21)30-39-28-7-3-2-6-25(28)31(43)41(30)23-9-11-24(12-10-23)44-19-32(35,36)37/h2-15,17,20H,16,18-19H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 641.48 g/mol, XLogP of 7.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 22052281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).