ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate

C15H19NO3 — CID 2936696

IUPACethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H19NO3/c1-5-18-14(17)19-11-6-7-13-12(8-11)10(2)9-15(3,4)16-13/h6-9,16H,5H2,1-4H3
InChIKeyGAWYHDNGLSXHFO-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.83
Rot. Bonds2

About ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate

ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate (PubChem CID 2936696) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate.

Molecular Properties

Compound Nameethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate
PubChem CID2936696
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H19NO3/c1-5-18-14(17)19-11-6-7-13-12(8-11)10(2)9-15(3,4)16-13/h6-9,16H,5H2,1-4H3
InChIKeyGAWYHDNGLSXHFO-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate?
The IUPAC name of ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate (CID 2936696) is ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate.
What is the SMILES notation for ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate?
The canonical SMILES for ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate is CCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate?
The InChIKey is GAWYHDNGLSXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-18-14(17)19-11-6-7-13-12(8-11)10(2)9-15(3,4)16-13/h6-9,16H,5H2,1-4H3.
What are the key properties of ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate?
ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate has a molecular weight of 261.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2,2,4-trimethyl-1H-quinolin-6-yl) carbonate is sourced from PubChem (CID 2936696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).