tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate

C16H19ClN2O3 — CID 156619972

IUPACtert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)18-8-9-21-12-5-6-13-11(10-12)4-7-14(17)19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyYIZRBVQSKMTEIY-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate

tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate (PubChem CID 156619972) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
PubChem CID156619972
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nametert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)18-8-9-21-12-5-6-13-11(10-12)4-7-14(17)19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyYIZRBVQSKMTEIY-UHFFFAOYSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 86669526
tert-butyl N-[2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]ethyl]carbamate
CID 134180800
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
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tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
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tert-butyl N-[5-[(2-chloro-1,3-benzothiazol-6-yl)oxy]pentyl]carbamate
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tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
CID 55730969
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
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tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate (CID 156619972) is tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate?
The InChIKey is YIZRBVQSKMTEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)18-8-9-21-12-5-6-13-11(10-12)4-7-14(17)19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate?
tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate has a molecular weight of 322.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate is sourced from PubChem (CID 156619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).