N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C24H17BrF3N3O2 — CID 69230195

IUPACN-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C24H17BrF3N3O2/c1-13-6-8-18(30-22(32)15-4-3-5-16(10-15)24(26,27)28)12-21(13)31-14(2)29-20-9-7-17(25)11-19(20)23(31)33/h3-12H,1-2H3,(H,30,32)
InChIKeyJOZTYQVNCCOXNN-UHFFFAOYSA-N
MW516.32 g/mol
LogP6.04
Rot. Bonds3

About N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 69230195) has the molecular formula C24H17BrF3N3O2 and a molecular weight of 516.32 g/mol. Its IUPAC name is N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID69230195
Molecular FormulaC24H17BrF3N3O2
Molecular Weight516.32 g/mol
Exact Mass515.05
IUPAC NameN-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C24H17BrF3N3O2/c1-13-6-8-18(30-22(32)15-4-3-5-16(10-15)24(26,27)28)12-21(13)31-14(2)29-20-9-7-17(25)11-19(20)23(31)33/h3-12H,1-2H3,(H,30,32)
InChIKeyJOZTYQVNCCOXNN-UHFFFAOYSA-N
XLogP6.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.32
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-[3-[7-(3-aminoanilino)-4-methyl-2-oxopyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 68804822
N-cyclopropyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-oxoquinazoline-8-carboxamide
CID 69228839
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-[3-(2-chloro-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59723641
N-[3-(2,8-dimethyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;methanamine
CID 143161554
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-[3-[7-[3-(methanesulfonamido)anilino]-4-methyl-2-oxopyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 68806552
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 69230195) is N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)nc2ccc(Br)cc2c1=O.
What is the InChIKey of N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JOZTYQVNCCOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF3N3O2/c1-13-6-8-18(30-22(32)15-4-3-5-16(10-15)24(26,27)28)12-21(13)31-14(2)29-20-9-7-17(25)11-19(20)23(31)33/h3-12H,1-2H3,(H,30,32).
What are the key properties of N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 516.32 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69230195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).