quinolin-6-yl N-hexylcarbamate

C16H20N2O2 — CID 11587138

IUPACquinolin-6-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-2-3-4-5-10-18-16(19)20-14-8-9-15-13(12-14)7-6-11-17-15/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyRZHZJLAPZGYKLY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.90
Rot. Bonds6

About quinolin-6-yl N-hexylcarbamate

quinolin-6-yl N-hexylcarbamate (PubChem CID 11587138) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is quinolin-6-yl N-hexylcarbamate.

Molecular Properties

Compound Namequinolin-6-yl N-hexylcarbamate
PubChem CID11587138
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namequinolin-6-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-2-3-4-5-10-18-16(19)20-14-8-9-15-13(12-14)7-6-11-17-15/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyRZHZJLAPZGYKLY-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octylquinoline-6-carboxamide
CID 68863650
6-tridecoxyquinoline
CID 174908858
(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
CID 22971769
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
1-O-(4-fluorophenyl) 9-O-quinolin-6-yl nonanedioate
CID 118670311
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
N-(2-aminoethyl)-2-quinolin-6-yloxypropanamide
CID 75357317

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl N-hexylcarbamate?
The IUPAC name of quinolin-6-yl N-hexylcarbamate (CID 11587138) is quinolin-6-yl N-hexylcarbamate.
What is the SMILES notation for quinolin-6-yl N-hexylcarbamate?
The canonical SMILES for quinolin-6-yl N-hexylcarbamate is CCCCCCNC(=O)Oc1ccc2ncccc2c1.
What is the InChIKey of quinolin-6-yl N-hexylcarbamate?
The InChIKey is RZHZJLAPZGYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-3-4-5-10-18-16(19)20-14-8-9-15-13(12-14)7-6-11-17-15/h6-9,11-12H,2-5,10H2,1H3,(H,18,19).
What are the key properties of quinolin-6-yl N-hexylcarbamate?
quinolin-6-yl N-hexylcarbamate has a molecular weight of 272.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl N-hexylcarbamate is sourced from PubChem (CID 11587138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).