N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide

C30H29ClF3N3O2 — CID 42720284

IUPACN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C)N(CC(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H29ClF3N3O2/c1-5-25(36(17-18(2)3)28(38)20-9-8-10-21(16-20)30(32,33)34)27-35-24-12-7-6-11-23(24)29(39)37(27)26-14-13-22(31)15-19(26)4/h6-16,18,25H,5,17H2,1-4H3
InChIKeySOQWWLZSXXVZLY-UHFFFAOYSA-N
MW556.03 g/mol
LogP7.62
Rot. Bonds7

About N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide

N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 42720284) has the molecular formula C30H29ClF3N3O2 and a molecular weight of 556.03 g/mol. Its IUPAC name is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID42720284
Molecular FormulaC30H29ClF3N3O2
Molecular Weight556.03 g/mol
Exact Mass555.19
IUPAC NameN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C)N(CC(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H29ClF3N3O2/c1-5-25(36(17-18(2)3)28(38)20-9-8-10-21(16-20)30(32,33)34)27-35-24-12-7-6-11-23(24)29(39)37(27)26-14-13-22(31)15-19(26)4/h6-16,18,25H,5,17H2,1-4H3
InChIKeySOQWWLZSXXVZLY-UHFFFAOYSA-N
XLogP7.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.03
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 42718352
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 4214005
4-bromo-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 3894886
1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42720303
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyl-3-(trifluoromethyl)benzamide
CID 4561999
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720251
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42716809
4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
3-(4-bromophenyl)-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 42720263
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3432185

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide (CID 42720284) is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C)N(CC(C)C)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is SOQWWLZSXXVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClF3N3O2/c1-5-25(36(17-18(2)3)28(38)20-9-8-10-21(16-20)30(32,33)34)27-35-24-12-7-6-11-23(24)29(39)37(27)26-14-13-22(31)15-19(26)4/h6-16,18,25H,5,17H2,1-4H3.
What are the key properties of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 556.03 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).