N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide

C17H17N5O2 — CID 97146797

IUPACN-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cn([C@@H]4CCOC4)nn3)ccc2c1
InChIInChI=1S/C17H17N5O2/c1-11(23)18-13-3-5-15-12(8-13)2-4-16(19-15)17-9-22(21-20-17)14-6-7-24-10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQUGHCVGHWIXEJX-CQSZACIVSA-N
MW323.36 g/mol
LogP2.41
Rot. Bonds3

About N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide

N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide (PubChem CID 97146797) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide
PubChem CID97146797
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cn([C@@H]4CCOC4)nn3)ccc2c1
InChIInChI=1S/C17H17N5O2/c1-11(23)18-13-3-5-15-12(8-13)2-4-16(19-15)17-9-22(21-20-17)14-6-7-24-10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQUGHCVGHWIXEJX-CQSZACIVSA-N
XLogP2.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide (CID 97146797) is N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3cn([C@@H]4CCOC4)nn3)ccc2c1.
What is the InChIKey of N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide?
The InChIKey is QUGHCVGHWIXEJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11(23)18-13-3-5-15-12(8-13)2-4-16(19-15)17-9-22(21-20-17)14-6-7-24-10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,18,23)/t14-/m1/s1.
What are the key properties of N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide?
N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide is sourced from PubChem (CID 97146797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).