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

C15H10F3N3O — CID 154463151

IUPAC2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-6-2-4-8-12(10)21-13(22)9-5-1-3-7-11(9)20-14(21)19/h1-8H,(H2,19,20)
InChIKeyNQWVNBUVRZSMMI-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.99
Rot. Bonds1

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

2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 154463151) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID154463151
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-6-2-4-8-12(10)21-13(22)9-5-1-3-7-11(9)20-14(21)19/h1-8H,(H2,19,20)
InChIKeyNQWVNBUVRZSMMI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 3525240
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 130470114
2-[(2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 19798657
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
(2S)-2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2609491
4,8-bis(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 87857766
(2S)-N-(2,3-dichlorophenyl)-2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
CID 2439546
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 97057892
2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide
CID 19892054
3-(2,5-dimethoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 51365500

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one (CID 154463151) is 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one is Nc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is NQWVNBUVRZSMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)10-6-2-4-8-12(10)21-13(22)9-5-1-3-7-11(9)20-14(21)19/h1-8H,(H2,19,20).
What are the key properties of 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 305.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 154463151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).