N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide

C16H17N5O — CID 154780881

IUPACN-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C16H17N5O/c1-12(22)20(2)10-15-11-21(19-18-15)9-13-5-6-16-14(8-13)4-3-7-17-16/h3-8,11H,9-10H2,1-2H3
InChIKeyNAEKWKXDJQHYEO-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide

N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide (PubChem CID 154780881) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
PubChem CID154780881
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C16H17N5O/c1-12(22)20(2)10-15-11-21(19-18-15)9-13-5-6-16-14(8-13)4-3-7-17-16/h3-8,11H,9-10H2,1-2H3
InChIKeyNAEKWKXDJQHYEO-UHFFFAOYSA-N
XLogP1.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide (CID 154780881) is N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide is CC(=O)N(C)Cc1cn(Cc2ccc3ncccc3c2)nn1.
What is the InChIKey of N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is NAEKWKXDJQHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12(22)20(2)10-15-11-21(19-18-15)9-13-5-6-16-14(8-13)4-3-7-17-16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide?
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 154780881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).