quinolin-4-yl propanoate

C12H11NO2 — CID 174834385

IUPACquinolin-4-yl propanoate
SMILESCCC(=O)Oc1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyGEPBSQRNKGSDMM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.55
Rot. Bonds2

About quinolin-4-yl propanoate

quinolin-4-yl propanoate (PubChem CID 174834385) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is quinolin-4-yl propanoate.

Molecular Properties

Compound Namequinolin-4-yl propanoate
PubChem CID174834385
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namequinolin-4-yl propanoate
SMILESCCC(=O)Oc1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyGEPBSQRNKGSDMM-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-tert-butyl 1-O-quinolin-4-yl butanedioate
CID 175434641
quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
CID 160803103
methyl 2-quinolin-4-yloxyacetate
CID 151479480
quinolin-4-yl prop-2-enoate
CID 59502728
(7-chloro-6-fluoroquinolin-4-yl) propanoate
CID 174271656
acridin-9-yl propanoate
CID 174709653
1-quinolin-4-ylbutan-2-one
CID 15695851
(3-hydroxy-2-methyl-4-pyridinyl) propanoate
CID 90934797
(3-ethoxy-2-propanoyloxyphenyl) propanoate
CID 90031987
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
3-quinolin-4-ylpentan-2-one
CID 63196425
4-phenylmethoxyquinoline
CID 11299312

Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl propanoate?
The IUPAC name of quinolin-4-yl propanoate (CID 174834385) is quinolin-4-yl propanoate.
What is the SMILES notation for quinolin-4-yl propanoate?
The canonical SMILES for quinolin-4-yl propanoate is CCC(=O)Oc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-yl propanoate?
The InChIKey is GEPBSQRNKGSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3.
What are the key properties of quinolin-4-yl propanoate?
quinolin-4-yl propanoate has a molecular weight of 201.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-yl propanoate is sourced from PubChem (CID 174834385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).