6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid

C21H12F3N3O4 — CID 58439464

IUPAC6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C21H12F3N3O4/c22-12-5-16(23)15(17(24)6-12)9-27-10-26-20(28)14-7-13(2-3-18(14)27)31-19-4-1-11(8-25-19)21(29)30/h1-8,10H,9H2,(H,29,30)
InChIKeyCQWIURBPRFJRBP-UHFFFAOYSA-N
MW427.34 g/mol
LogP3.75
Rot. Bonds5

About 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid

6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid (PubChem CID 58439464) has the molecular formula C21H12F3N3O4 and a molecular weight of 427.34 g/mol. Its IUPAC name is 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid
PubChem CID58439464
Molecular FormulaC21H12F3N3O4
Molecular Weight427.34 g/mol
Exact Mass427.08
IUPAC Name6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C21H12F3N3O4/c22-12-5-16(23)15(17(24)6-12)9-27-10-26-20(28)14-7-13(2-3-18(14)27)31-19-4-1-11(8-25-19)21(29)30/h1-8,10H,9H2,(H,29,30)
InChIKeyCQWIURBPRFJRBP-UHFFFAOYSA-N
XLogP3.75
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[(5-amino-2-pyridinyl)oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439521
6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carbaldehyde
CID 58439664
6-pyridin-3-yloxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439222
6-[[2-(trifluoromethyl)-3-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 71713341
3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-2-(trifluoromethyl)benzamide
CID 71581438
benzyl 2-[1-[(2,4-difluoro-6-methylphenyl)methyl]-4-oxoquinazolin-6-yl]oxy-3-(trifluoromethyl)benzoate
CID 123907237
2-ethylaniline;4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxylic acid
CID 123680773
6-[[5-[2-(1,3-benzothiazol-6-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439380
2-fluoro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;6-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one;6-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 158618148
ethyl 4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxylate;N-methoxy-N-methyl-4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxamide
CID 161045499
6-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-1-[(2,4-difluorophenyl)methyl]quinazolin-4-one
CID 58439316
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195

Frequently Asked Questions

What is the IUPAC name of 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid (CID 58439464) is 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)nc1.
What is the InChIKey of 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid?
The InChIKey is CQWIURBPRFJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O4/c22-12-5-16(23)15(17(24)6-12)9-27-10-26-20(28)14-7-13(2-3-18(14)27)31-19-4-1-11(8-25-19)21(29)30/h1-8,10H,9H2,(H,29,30).
What are the key properties of 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid?
6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid has a molecular weight of 427.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 58439464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).