quinolin-4-yl prop-2-enoate

C12H9NO2 — CID 59502728

IUPACquinolin-4-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccnc2ccccc12
InChIInChI=1S/C12H9NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h2-8H,1H2
InChIKeyVVDITMPFPCIACG-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.33
Rot. Bonds2

About quinolin-4-yl prop-2-enoate

quinolin-4-yl prop-2-enoate (PubChem CID 59502728) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is quinolin-4-yl prop-2-enoate.

Molecular Properties

Compound Namequinolin-4-yl prop-2-enoate
PubChem CID59502728
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Namequinolin-4-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccnc2ccccc12
InChIInChI=1S/C12H9NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h2-8H,1H2
InChIKeyVVDITMPFPCIACG-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
quinolin-4-yl propanoate
CID 174834385
naphthalen-1-yl prop-2-enoate
CID 10192638
4-O-tert-butyl 1-O-quinolin-4-yl butanedioate
CID 175434641
phenyl prop-2-enoate;triphenylene
CID 159225619
(2-fluoro-3-pyridinyl) prop-2-enoate
CID 174653164
methyl 2-quinolin-4-yloxyacetate
CID 151479480
quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
CID 160803103
diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
CID 158173265
(2-methoxyphenyl) prop-2-enoate
CID 22987486
2-cinnolin-4-yloxyethyl prop-2-enoate
CID 59502687
N-(quinolin-4-ylcarbamoyl)prop-2-enamide
CID 59502710

Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl prop-2-enoate?
The IUPAC name of quinolin-4-yl prop-2-enoate (CID 59502728) is quinolin-4-yl prop-2-enoate.
What is the SMILES notation for quinolin-4-yl prop-2-enoate?
The canonical SMILES for quinolin-4-yl prop-2-enoate is C=CC(=O)Oc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-yl prop-2-enoate?
The InChIKey is VVDITMPFPCIACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h2-8H,1H2.
What are the key properties of quinolin-4-yl prop-2-enoate?
quinolin-4-yl prop-2-enoate has a molecular weight of 199.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-yl prop-2-enoate is sourced from PubChem (CID 59502728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).