methyl 1-quinolin-4-ylcyclopropane-1-carboxylate

C14H13NO2 — CID 116985439

IUPACmethyl 1-quinolin-4-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C14H13NO2/c1-17-13(16)14(7-8-14)11-6-9-15-12-5-3-2-4-10(11)12/h2-6,9H,7-8H2,1H3
InChIKeyWJOIGEOYEKWSHM-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.44
Rot. Bonds2

About methyl 1-quinolin-4-ylcyclopropane-1-carboxylate

methyl 1-quinolin-4-ylcyclopropane-1-carboxylate (PubChem CID 116985439) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 1-quinolin-4-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-quinolin-4-ylcyclopropane-1-carboxylate
PubChem CID116985439
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 1-quinolin-4-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C14H13NO2/c1-17-13(16)14(7-8-14)11-6-9-15-12-5-3-2-4-10(11)12/h2-6,9H,7-8H2,1H3
InChIKeyWJOIGEOYEKWSHM-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate
CID 177269003
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 105497539
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
methyl 1-isoquinolin-1-ylcyclobutane-1-carboxylate
CID 116995253
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
methyl 1-[2-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]cyclopropane-1-carboxylate
CID 144572149
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
methyl 2-quinolin-4-yloxyacetate
CID 151479480
methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate
CID 105498151
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
CID 142597322
1-O-tert-butyl 4-O-methyl 4-quinazolin-4-ylpiperidine-1,4-dicarboxylate
CID 58770778

Frequently Asked Questions

What is the IUPAC name of methyl 1-quinolin-4-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-quinolin-4-ylcyclopropane-1-carboxylate (CID 116985439) is methyl 1-quinolin-4-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-quinolin-4-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-quinolin-4-ylcyclopropane-1-carboxylate is COC(=O)C1(c2ccnc3ccccc23)CC1.
What is the InChIKey of methyl 1-quinolin-4-ylcyclopropane-1-carboxylate?
The InChIKey is WJOIGEOYEKWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13(16)14(7-8-14)11-6-9-15-12-5-3-2-4-10(11)12/h2-6,9H,7-8H2,1H3.
What are the key properties of methyl 1-quinolin-4-ylcyclopropane-1-carboxylate?
methyl 1-quinolin-4-ylcyclopropane-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-quinolin-4-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 116985439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).