N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

C28H23F6N3O2 — CID 42711320

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H23F6N3O2/c1-3-36(25(38)19-13-20(27(29,30)31)15-21(14-19)28(32,33)34)17(2)24-35-23-12-8-7-11-22(23)26(39)37(24)16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3
InChIKeyZLVBBRAGBGAFLK-UHFFFAOYSA-N
MW547.50 g/mol
LogP6.71
Rot. Bonds6

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 42711320) has the molecular formula C28H23F6N3O2 and a molecular weight of 547.50 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID42711320
Molecular FormulaC28H23F6N3O2
Molecular Weight547.50 g/mol
Exact Mass547.17
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H23F6N3O2/c1-3-36(25(38)19-13-20(27(29,30)31)15-21(14-19)28(32,33)34)17(2)24-35-23-12-8-7-11-22(23)26(39)37(24)16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3
InChIKeyZLVBBRAGBGAFLK-UHFFFAOYSA-N
XLogP6.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
CID 42711179
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 42711404
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42712308
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 3902636
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 42723314
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (CID 42711320) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is ZLVBBRAGBGAFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F6N3O2/c1-3-36(25(38)19-13-20(27(29,30)31)15-21(14-19)28(32,33)34)17(2)24-35-23-12-8-7-11-22(23)26(39)37(24)16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 547.50 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 42711320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).