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

C21H15F3N4O2 — CID 25068727

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCc1ccn(-c2cccc(OC(F)(F)F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H15F3N4O2/c1-12-7-8-28(15-3-2-4-16(10-15)30-21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
InChIKeyHVOFWMWNKJITDW-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.24
Rot. Bonds3

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

3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 25068727) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID25068727
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCc1ccn(-c2cccc(OC(F)(F)F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H15F3N4O2/c1-12-7-8-28(15-3-2-4-16(10-15)30-21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
InChIKeyHVOFWMWNKJITDW-UHFFFAOYSA-N
XLogP4.24
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one (CID 25068727) is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one is Cc1ccn(-c2cccc(OC(F)(F)F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is HVOFWMWNKJITDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-12-7-8-28(15-3-2-4-16(10-15)30-21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)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-[3-(trifluoromethoxy)phenyl]pyridin-2-one?
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 412.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 25068727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).