N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide

C30H30F3N3O2 — CID 58635870

IUPACN-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C30H30F3N3O2/c1-4-18-35(27(37)19-22-10-14-23(15-11-22)30(31,32)33)20(3)28-34-26-9-7-6-8-25(26)29(38)36(28)24-16-12-21(5-2)13-17-24/h6-17,20H,4-5,18-19H2,1-3H3/t20-/m1/s1
InChIKeyMEGHCGPUPWBAJF-HXUWFJFHSA-N
MW521.58 g/mol
LogP6.51
Rot. Bonds8

About N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 58635870) has the molecular formula C30H30F3N3O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID58635870
Molecular FormulaC30H30F3N3O2
Molecular Weight521.58 g/mol
Exact Mass521.23
IUPAC NameN-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C30H30F3N3O2/c1-4-18-35(27(37)19-22-10-14-23(15-11-22)30(31,32)33)20(3)28-34-26-9-7-6-8-25(26)29(38)36(28)24-16-12-21(5-2)13-17-24/h6-17,20H,4-5,18-19H2,1-3H3/t20-/m1/s1
InChIKeyMEGHCGPUPWBAJF-HXUWFJFHSA-N
XLogP6.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59058780
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42721875
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42716065
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
N-[(3-ethyl-4,5-dihydro-3H-azepin-7-yl)methyl]-N-[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 142179420
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 58635870) is N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MEGHCGPUPWBAJF-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H30F3N3O2/c1-4-18-35(27(37)19-22-10-14-23(15-11-22)30(31,32)33)20(3)28-34-26-9-7-6-8-25(26)29(38)36(28)24-16-12-21(5-2)13-17-24/h6-17,20H,4-5,18-19H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 521.58 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58635870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).