N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide

C14H17N3O2 — CID 45267437

IUPACN-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(N(C)CCO)ccc2c1
InChIInChI=1S/C14H17N3O2/c1-10(19)15-12-4-5-13-11(9-12)3-6-14(16-13)17(2)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyNZFBWEWCSQOMSX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.62
Rot. Bonds4

About N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide

N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide (PubChem CID 45267437) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide
PubChem CID45267437
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(N(C)CCO)ccc2c1
InChIInChI=1S/C14H17N3O2/c1-10(19)15-12-4-5-13-11(9-12)3-6-14(16-13)17(2)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyNZFBWEWCSQOMSX-UHFFFAOYSA-N
XLogP1.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide (CID 45267437) is N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(N(C)CCO)ccc2c1.
What is the InChIKey of N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide?
The InChIKey is NZFBWEWCSQOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(19)15-12-4-5-13-11(9-12)3-6-14(16-13)17(2)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide?
N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide is sourced from PubChem (CID 45267437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).