3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one

C15H10F3N3O — CID 176686122

IUPAC3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-5-3-4-9(8-10)13-20-12-7-2-1-6-11(12)14(22)21(13)19/h1-8H,19H2
InChIKeyJKIWLPLWQMEXID-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.80
Rot. Bonds1

About 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one

3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 176686122) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID176686122
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-5-3-4-9(8-10)13-20-12-7-2-1-6-11(12)14(22)21(13)19/h1-8H,19H2
InChIKeyJKIWLPLWQMEXID-UHFFFAOYSA-N
XLogP2.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-[(4-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126300832
3-[(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126288477
2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126476982
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
3-[(3-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126288265
3-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303154
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
3-[(1-ethylindol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126290786
3-[(5-hydroxy-2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303816
3-[(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126290708
3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126302094

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one (CID 176686122) is 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one is Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is JKIWLPLWQMEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)10-5-3-4-9(8-10)13-20-12-7-2-1-6-11(12)14(22)21(13)19/h1-8H,19H2.
What are the key properties of 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 305.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 176686122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).