N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide

C33H29F2N3O2 — CID 23579300

IUPACN-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)c1nc2cccc(F)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C33H29F2N3O2/c1-3-20-37(30(39)21-23-12-14-25(15-13-23)24-8-5-4-6-9-24)22(2)32-36-29-11-7-10-28(35)31(29)33(40)38(32)27-18-16-26(34)17-19-27/h4-19,22H,3,20-21H2,1-2H3
InChIKeyLIRSGLXAQMWLOT-UHFFFAOYSA-N
MW537.61 g/mol
LogP6.87
Rot. Bonds8

About N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide

N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide (PubChem CID 23579300) has the molecular formula C33H29F2N3O2 and a molecular weight of 537.61 g/mol. Its IUPAC name is N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide
PubChem CID23579300
Molecular FormulaC33H29F2N3O2
Molecular Weight537.61 g/mol
Exact Mass537.22
IUPAC NameN-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)c1nc2cccc(F)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C33H29F2N3O2/c1-3-20-37(30(39)21-23-12-14-25(15-13-23)24-8-5-4-6-9-24)22(2)32-36-29-11-7-10-28(35)31(29)33(40)38(32)27-18-16-26(34)17-19-27/h4-19,22H,3,20-21H2,1-2H3
InChIKeyLIRSGLXAQMWLOT-UHFFFAOYSA-N
XLogP6.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide;methane
CID 162262439
N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58635870
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42716065
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 23401222
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-2-methylpropanamide
CID 42716380
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
N-[1-[3-(4-fluorophenyl)-4-sulfanylidenethieno[3,2-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide
CID 11563468
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
CID 121455170
N-[2-(dimethylamino)acetyl]-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-phenylbenzamide
CID 58653712
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-N-propylpropanamide
CID 42717344

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide?
The IUPAC name of N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide (CID 23579300) is N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide.
What is the SMILES notation for N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide?
The canonical SMILES for N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide is CCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)c1nc2cccc(F)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide?
The InChIKey is LIRSGLXAQMWLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N3O2/c1-3-20-37(30(39)21-23-12-14-25(15-13-23)24-8-5-4-6-9-24)22(2)32-36-29-11-7-10-28(35)31(29)33(40)38(32)27-18-16-26(34)17-19-27/h4-19,22H,3,20-21H2,1-2H3.
What are the key properties of N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide?
N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide has a molecular weight of 537.61 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide is sourced from PubChem (CID 23579300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).