methyl 1H-quinoline-8a-carboxylate

C11H11NO2 — CID 141148434

IUPACmethyl 1H-quinoline-8a-carboxylate
SMILESCOC(=O)C12C=CC=CC1=CC=CN2
InChIInChI=1S/C11H11NO2/c1-14-10(13)11-7-3-2-5-9(11)6-4-8-12-11/h2-8,12H,1H3
InChIKeyLXYUPWNORLBPEK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.07
Rot. Bonds1

About methyl 1H-quinoline-8a-carboxylate

methyl 1H-quinoline-8a-carboxylate (PubChem CID 141148434) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 1H-quinoline-8a-carboxylate.

Molecular Properties

Compound Namemethyl 1H-quinoline-8a-carboxylate
PubChem CID141148434
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 1H-quinoline-8a-carboxylate
SMILESCOC(=O)C12C=CC=CC1=CC=CN2
InChIInChI=1S/C11H11NO2/c1-14-10(13)11-7-3-2-5-9(11)6-4-8-12-11/h2-8,12H,1H3
InChIKeyLXYUPWNORLBPEK-UHFFFAOYSA-N
XLogP1.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1H-quinoline-8a-carboxylate?
The IUPAC name of methyl 1H-quinoline-8a-carboxylate (CID 141148434) is methyl 1H-quinoline-8a-carboxylate.
What is the SMILES notation for methyl 1H-quinoline-8a-carboxylate?
The canonical SMILES for methyl 1H-quinoline-8a-carboxylate is COC(=O)C12C=CC=CC1=CC=CN2.
What is the InChIKey of methyl 1H-quinoline-8a-carboxylate?
The InChIKey is LXYUPWNORLBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-10(13)11-7-3-2-5-9(11)6-4-8-12-11/h2-8,12H,1H3.
What are the key properties of methyl 1H-quinoline-8a-carboxylate?
methyl 1H-quinoline-8a-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-quinoline-8a-carboxylate is sourced from PubChem (CID 141148434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).