methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate

C13H14N2O2 — CID 122149581

IUPACmethyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCOC(=O)CN1CCCc2cc(C#N)ccc21
InChIInChI=1S/C13H14N2O2/c1-17-13(16)9-15-6-2-3-11-7-10(8-14)4-5-12(11)15/h4-5,7H,2-3,6,9H2,1H3
InChIKeyJCVIEVLLYYWJNR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds2

About methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate

methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate (PubChem CID 122149581) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
PubChem CID122149581
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCOC(=O)CN1CCCc2cc(C#N)ccc21
InChIInChI=1S/C13H14N2O2/c1-17-13(16)9-15-6-2-3-11-7-10(8-14)4-5-12(11)15/h4-5,7H,2-3,6,9H2,1H3
InChIKeyJCVIEVLLYYWJNR-UHFFFAOYSA-N
XLogP1.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate?
The IUPAC name of methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate (CID 122149581) is methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate is COC(=O)CN1CCCc2cc(C#N)ccc21.
What is the InChIKey of methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate?
The InChIKey is JCVIEVLLYYWJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)9-15-6-2-3-11-7-10(8-14)4-5-12(11)15/h4-5,7H,2-3,6,9H2,1H3.
What are the key properties of methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate?
methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate has a molecular weight of 230.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate is sourced from PubChem (CID 122149581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).