8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

C16H11F3N2O — CID 135456762

IUPAC8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyGDPZGQDEZJRADO-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.92
Rot. Bonds1

About 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 135456762) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID135456762
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyGDPZGQDEZJRADO-UHFFFAOYSA-N
XLogP3.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
3-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
Glycosminine
CID 135426527
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One
CID 135416131
2-(4-Tert-Butylphenyl)-1,4-Dihydroquinazolin-4-One
CID 135443955
2-(4-Methylphenyl)quinazolin-4(3H)-one
CID 135452109
2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One
CID 135566970
3-Amino-2-(m-tolyl)quinazolin-4(3H)-one
CID 777429

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 135456762) is 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is GDPZGQDEZJRADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 304.27 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).