N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide

C16H20N2O2 — CID 62517417

IUPACN-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-16(4-2,11-19)18-15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-10,19H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyGPTJFZPMSBQAAW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide (PubChem CID 62517417) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
PubChem CID62517417
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-16(4-2,11-19)18-15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-10,19H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyGPTJFZPMSBQAAW-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide (CID 62517417) is N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide is CCC(CC)(CO)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide?
The InChIKey is GPTJFZPMSBQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-16(4-2,11-19)18-15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-10,19H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 62517417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).