N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide

C33H29ClFN3O3 — CID 45488724

IUPACN-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(CCc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C33H29ClFN3O3/c1-2-30(37(20-19-23-11-5-3-6-12-23)31(39)22-41-25-13-7-4-8-14-25)32-36-29-16-10-9-15-26(29)33(40)38(32)24-17-18-28(35)27(34)21-24/h3-18,21,30H,2,19-20,22H2,1H3
InChIKeyGNCWIVMKGDEZHQ-UHFFFAOYSA-N
MW570.06 g/mol
LogP6.78
Rot. Bonds10

About N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide

N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide (PubChem CID 45488724) has the molecular formula C33H29ClFN3O3 and a molecular weight of 570.06 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide
PubChem CID45488724
Molecular FormulaC33H29ClFN3O3
Molecular Weight570.06 g/mol
Exact Mass569.19
IUPAC NameN-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(CCc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C33H29ClFN3O3/c1-2-30(37(20-19-23-11-5-3-6-12-23)31(39)22-41-25-13-7-4-8-14-25)32-36-29-16-10-9-15-26(29)33(40)38(32)24-17-18-28(35)27(34)21-24/h3-18,21,30H,2,19-20,22H2,1H3
InChIKeyGNCWIVMKGDEZHQ-UHFFFAOYSA-N
XLogP6.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.06
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)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 N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide (CID 45488724) is N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(CCc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The InChIKey is GNCWIVMKGDEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClFN3O3/c1-2-30(37(20-19-23-11-5-3-6-12-23)31(39)22-41-25-13-7-4-8-14-25)32-36-29-16-10-9-15-26(29)33(40)38(32)24-17-18-28(35)27(34)21-24/h3-18,21,30H,2,19-20,22H2,1H3.
What are the key properties of N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide?
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide has a molecular weight of 570.06 g/mol, XLogP of 6.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 45488724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).