4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one

C16H13F3N4O2 — CID 162523870

IUPAC4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c1c(N)nc(=O)n2-c1cccnc1C
InChIInChI=1S/C16H13F3N4O2/c1-8-10(4-3-5-21-8)23-11-6-9(16(17,18)19)7-12(25-2)13(11)14(20)22-15(23)24/h3-7H,1-2H3,(H2,20,22,24)
InChIKeyCGINNACDNGNGEL-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.70
Rot. Bonds2

About 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one

4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 162523870) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one
PubChem CID162523870
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c1c(N)nc(=O)n2-c1cccnc1C
InChIInChI=1S/C16H13F3N4O2/c1-8-10(4-3-5-21-8)23-11-6-9(16(17,18)19)7-12(25-2)13(11)14(20)22-15(23)24/h3-7H,1-2H3,(H2,20,22,24)
InChIKeyCGINNACDNGNGEL-UHFFFAOYSA-N
XLogP2.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one (CID 162523870) is 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one is COc1cc(C(F)(F)F)cc2c1c(N)nc(=O)n2-c1cccnc1C.
What is the InChIKey of 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is CGINNACDNGNGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-8-10(4-3-5-21-8)23-11-6-9(16(17,18)19)7-12(25-2)13(11)14(20)22-15(23)24/h3-7H,1-2H3,(H2,20,22,24).
What are the key properties of 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one?
4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 350.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-1-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 162523870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).