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

C28H26F3N3O3 — CID 42711404

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H26F3N3O3/c1-19(33(15-16-37-2)26(35)21-11-8-12-22(17-21)28(29,30)31)25-32-24-14-7-6-13-23(24)27(36)34(25)18-20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyILSJFWLBAHWJLE-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.31
Rot. Bonds8

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

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 42711404) has the molecular formula C28H26F3N3O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID42711404
Molecular FormulaC28H26F3N3O3
Molecular Weight509.53 g/mol
Exact Mass509.19
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H26F3N3O3/c1-19(33(15-16-37-2)26(35)21-11-8-12-22(17-21)28(29,30)31)25-32-24-14-7-6-13-23(24)27(36)34(25)18-20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyILSJFWLBAHWJLE-UHFFFAOYSA-N
XLogP5.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 3401814
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 3902636
N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7237096
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42729100
N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711604
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
CID 42711179
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 42718352
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 42711404) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(C(=O)c1cccc(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-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ILSJFWLBAHWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O3/c1-19(33(15-16-37-2)26(35)21-11-8-12-22(17-21)28(29,30)31)25-32-24-14-7-6-13-23(24)27(36)34(25)18-20-9-4-3-5-10-20/h3-14,17,19H,15-16,18H2,1-2H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 509.53 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42711404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).