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

C16H11F3N2O2 — CID 135513721

IUPAC8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyPFWLEODBNCMHGH-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.62
Rot. Bonds2

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

8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 135513721) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID135513721
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyPFWLEODBNCMHGH-UHFFFAOYSA-N
XLogP3.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-8-methoxy-3H-quinazolin-4-one
CID 137190179
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
CID 136981745
8-methyl-2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137108978
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-(4-tert-butylphenyl)-8-nitro-3H-quinazolin-4-one
CID 172677792
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545032
2-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552135
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoro-3H-quinazolin-4-one
CID 137108934
methyl 5-hydroxy-6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxylate
CID 135425165
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloro-3H-quinazolin-4-one
CID 137108927

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 135513721) is 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is PFWLEODBNCMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 320.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).