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

C19H17N5O — CID 75202416

IUPAC2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCc1ccc(-c2n[nH]c(COc3nc(C)nc4ccccc34)n2)cc1
InChIInChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)18-22-17(23-24-18)11-25-19-15-5-3-4-6-16(15)20-13(2)21-19/h3-10H,11H2,1-2H3,(H,22,23,24)
InChIKeyIQBWACOHDBNTEH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.61
Rot. Bonds4

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

2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (PubChem CID 75202416) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
PubChem CID75202416
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
SMILESCc1ccc(-c2n[nH]c(COc3nc(C)nc4ccccc34)n2)cc1
InChIInChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)18-22-17(23-24-18)11-25-19-15-5-3-4-6-16(15)20-13(2)21-19/h3-10H,11H2,1-2H3,(H,22,23,24)
InChIKeyIQBWACOHDBNTEH-UHFFFAOYSA-N
XLogP3.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578622
4-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578516
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307
[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600441
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 75202424
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
4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
CID 918325
N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 46391582
N-(4-methylphenyl)-5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
CID 10378921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The IUPAC name of 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline (CID 75202416) is 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline.
What is the SMILES notation for 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The canonical SMILES for 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is Cc1ccc(-c2n[nH]c(COc3nc(C)nc4ccccc34)n2)cc1.
What is the InChIKey of 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
The InChIKey is IQBWACOHDBNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)18-22-17(23-24-18)11-25-19-15-5-3-4-6-16(15)20-13(2)21-19/h3-10H,11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline?
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline has a molecular weight of 331.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline is sourced from PubChem (CID 75202416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).