N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine

C20H19N5O — CID 166219460

IUPACN-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine
SMILESCOc1cccc(-n2cc(CNc3c(C)cnc4ccccc34)nn2)c1
InChIInChI=1S/C20H19N5O/c1-14-11-21-19-9-4-3-8-18(19)20(14)22-12-15-13-25(24-23-15)16-6-5-7-17(10-16)26-2/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyUHYHSZORNPXFMG-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine

N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine (PubChem CID 166219460) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine
PubChem CID166219460
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine
SMILESCOc1cccc(-n2cc(CNc3c(C)cnc4ccccc34)nn2)c1
InChIInChI=1S/C20H19N5O/c1-14-11-21-19-9-4-3-8-18(19)20(14)22-12-15-13-25(24-23-15)16-6-5-7-17(10-16)26-2/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyUHYHSZORNPXFMG-UHFFFAOYSA-N
XLogP3.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
4-(1,3-benzothiazol-2-yl)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]aniline
CID 171356816
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
2-chloro-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-4-nitroaniline
CID 47092326
2-(3-methoxyphenyl)pyrrolo[3,4-c]quinoline
CID 67840980
1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 47089378
1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
CID 141302836
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
CID 170210907
4-(bromomethyl)-1-(3-ethoxyphenyl)triazole
CID 62399472
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176501771

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine?
The IUPAC name of N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine (CID 166219460) is N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine is COc1cccc(-n2cc(CNc3c(C)cnc4ccccc34)nn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine?
The InChIKey is UHYHSZORNPXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-11-21-19-9-4-3-8-18(19)20(14)22-12-15-13-25(24-23-15)16-6-5-7-17(10-16)26-2/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine?
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine is sourced from PubChem (CID 166219460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).