(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate

C14H13NO3 — CID 110273113

IUPAC(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate
SMILESC=CCc1c(OC(C)=O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H13NO3/c1-3-6-11-13(18-9(2)16)10-7-4-5-8-12(10)15-14(11)17/h3-5,7-8H,1,6H2,2H3,(H,15,17)
InChIKeyOSMNAECUZZUHDX-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.18
Rot. Bonds3

About (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate

(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate (PubChem CID 110273113) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate.

Molecular Properties

Compound Name(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate
PubChem CID110273113
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate
SMILESC=CCc1c(OC(C)=O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H13NO3/c1-3-6-11-13(18-9(2)16)10-7-4-5-8-12(10)15-14(11)17/h3-5,7-8H,1,6H2,2H3,(H,15,17)
InChIKeyOSMNAECUZZUHDX-UHFFFAOYSA-N
XLogP2.18
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-prop-2-enyl-1H-quinolin-2-one
CID 67155739
3-prop-2-enyl-1H-indol-2-ol
CID 141031189
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
2-(3-hydroxy-2-oxo-1H-quinolin-4-yl)-N-prop-2-enylacetamide
CID 23857616
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
CID 141273048
ethyl 3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
CID 878842
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
CID 13066658
(4,6-dimethyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 13298923
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
acetic acid;1H-quinazoline-2,4-dione
CID 67165558
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate?
The IUPAC name of (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate (CID 110273113) is (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate.
What is the SMILES notation for (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate?
The canonical SMILES for (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate is C=CCc1c(OC(C)=O)c2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate?
The InChIKey is OSMNAECUZZUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-3-6-11-13(18-9(2)16)10-7-4-5-8-12(10)15-14(11)17/h3-5,7-8H,1,6H2,2H3,(H,15,17).
What are the key properties of (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate?
(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate has a molecular weight of 243.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate is sourced from PubChem (CID 110273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).