methyl 1-quinolin-3-ylazetidine-2-carboxylate

C14H14N2O2 — CID 112581415

IUPACmethyl 1-quinolin-3-ylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1cnc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13-6-7-16(13)11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9,13H,6-7H2,1H3
InChIKeyCJBJNIXMKOHPSP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.99
Rot. Bonds2

About methyl 1-quinolin-3-ylazetidine-2-carboxylate

methyl 1-quinolin-3-ylazetidine-2-carboxylate (PubChem CID 112581415) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 1-quinolin-3-ylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-quinolin-3-ylazetidine-2-carboxylate
PubChem CID112581415
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 1-quinolin-3-ylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1cnc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13-6-7-16(13)11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9,13H,6-7H2,1H3
InChIKeyCJBJNIXMKOHPSP-UHFFFAOYSA-N
XLogP1.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710
methyl 1-(3,4-dichlorophenyl)azetidine-2-carboxylate
CID 112581074
methyl 1-(3-acetamidophenyl)azetidine-2-carboxylate
CID 112581140
methyl 1-isoquinolin-5-ylazetidine-2-carboxylate
CID 112581219
methyl 1-(3-bromo-4-methylphenyl)azetidine-2-carboxylate
CID 112581474
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
methyl 1-(4-bromo-3-fluorophenyl)azetidine-2-carboxylate
CID 112581507
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl 1-(1,3-benzodioxol-5-yl)azetidine-2-carboxylate
CID 112581145
methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
CID 165461124
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl 1-(3-butan-2-yloxyphenyl)azetidine-2-carboxylate
CID 112581386

Frequently Asked Questions

What is the IUPAC name of methyl 1-quinolin-3-ylazetidine-2-carboxylate?
The IUPAC name of methyl 1-quinolin-3-ylazetidine-2-carboxylate (CID 112581415) is methyl 1-quinolin-3-ylazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-quinolin-3-ylazetidine-2-carboxylate?
The canonical SMILES for methyl 1-quinolin-3-ylazetidine-2-carboxylate is COC(=O)C1CCN1c1cnc2ccccc2c1.
What is the InChIKey of methyl 1-quinolin-3-ylazetidine-2-carboxylate?
The InChIKey is CJBJNIXMKOHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)13-6-7-16(13)11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of methyl 1-quinolin-3-ylazetidine-2-carboxylate?
methyl 1-quinolin-3-ylazetidine-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-quinolin-3-ylazetidine-2-carboxylate is sourced from PubChem (CID 112581415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).