4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline

C19H14F3N5O2 — CID 86578622

IUPAC4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc(-c2n[nH]c(COc3nc(C(F)(F)F)nc4ccccc34)n2)cc1
InChIInChI=1S/C19H14F3N5O2/c1-28-12-8-6-11(7-9-12)16-24-15(26-27-16)10-29-17-13-4-2-3-5-14(13)23-18(25-17)19(20,21)22/h2-9H,10H2,1H3,(H,24,26,27)
InChIKeyWZFGZNCZODXHKJ-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.02
Rot. Bonds5

About 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline

4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline (PubChem CID 86578622) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
PubChem CID86578622
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc(-c2n[nH]c(COc3nc(C(F)(F)F)nc4ccccc34)n2)cc1
InChIInChI=1S/C19H14F3N5O2/c1-28-12-8-6-11(7-9-12)16-24-15(26-27-16)10-29-17-13-4-2-3-5-14(13)23-18(25-17)19(20,21)22/h2-9H,10H2,1H3,(H,24,26,27)
InChIKeyWZFGZNCZODXHKJ-UHFFFAOYSA-N
XLogP4.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline with MolForge

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Related Compounds

4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
CID 86579053
4-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578516
4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 75202424
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
4-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840001
4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
CID 918325
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56524776
2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 50877471
4-[5-[(4-aminophenoxy)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 53264640
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
CID 23228256
5-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531733
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline (CID 86578622) is 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline is COc1ccc(-c2n[nH]c(COc3nc(C(F)(F)F)nc4ccccc34)n2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The InChIKey is WZFGZNCZODXHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-28-12-8-6-11(7-9-12)16-24-15(26-27-16)10-29-17-13-4-2-3-5-14(13)23-18(25-17)19(20,21)22/h2-9H,10H2,1H3,(H,24,26,27).
What are the key properties of 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline has a molecular weight of 401.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 86578622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).