6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

C16H13F3N2O — CID 123458657

IUPAC6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)CN2
InChIInChI=1S/C16H13F3N2O/c1-10-6-7-13-11(8-10)15(22)21(9-20-13)14-5-3-2-4-12(14)16(17,18)19/h2-8,20H,9H2,1H3
InChIKeyLTPPMFXSOGJTBY-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.04
Rot. Bonds1

About 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 123458657) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID123458657
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)CN2
InChIInChI=1S/C16H13F3N2O/c1-10-6-7-13-11(8-10)15(22)21(9-20-13)14-5-3-2-4-12(14)16(17,18)19/h2-8,20H,9H2,1H3
InChIKeyLTPPMFXSOGJTBY-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
CID 117013796
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
5-methyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 3982569
4-amino-5-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327699
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-benzodiazepin-2-one
CID 110172629
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide
CID 163810445
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 81070576

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 123458657) is 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is Cc1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)CN2.
What is the InChIKey of 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is LTPPMFXSOGJTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-10-6-7-13-11(8-10)15(22)21(9-20-13)14-5-3-2-4-12(14)16(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 306.29 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 123458657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).