3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

C21H15F3N4O — CID 24879308

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1ccn(-c2ccc(C(F)(F)F)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H15F3N4O/c1-12-8-9-28(16-5-3-15(4-6-16)21(22,23)24)19(29)18(12)13-2-7-17-14(10-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
InChIKeyXQUGABIPVADSEL-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.36
Rot. Bonds2

About 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 24879308) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID24879308
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1ccn(-c2ccc(C(F)(F)F)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H15F3N4O/c1-12-8-9-28(16-5-3-15(4-6-16)21(22,23)24)19(29)18(12)13-2-7-17-14(10-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
InChIKeyXQUGABIPVADSEL-UHFFFAOYSA-N
XLogP4.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 24879308) is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cc1ccn(-c2ccc(C(F)(F)F)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is XQUGABIPVADSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-12-8-9-28(16-5-3-15(4-6-16)21(22,23)24)19(29)18(12)13-2-7-17-14(10-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 396.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 24879308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).