ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate

C15H15NO3 — CID 54601867

IUPACethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)8-9-16-13-7-5-4-6-12(13)11(2)10-14(16)17/h4-10H,3H2,1-2H3/b9-8-
InChIKeySXEVNHMNWSMJSC-HJWRWDBZSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate

ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate (PubChem CID 54601867) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
PubChem CID54601867
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)8-9-16-13-7-5-4-6-12(13)11(2)10-14(16)17/h4-10H,3H2,1-2H3/b9-8-
InChIKeySXEVNHMNWSMJSC-HJWRWDBZSA-N
XLogP2.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate (CID 54601867) is ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate is CCOC(=O)/C=C\n1c(=O)cc(C)c2ccccc21.
What is the InChIKey of ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate?
The InChIKey is SXEVNHMNWSMJSC-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-19-15(18)8-9-16-13-7-5-4-6-12(13)11(2)10-14(16)17/h4-10H,3H2,1-2H3/b9-8-.
What are the key properties of ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate?
ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate is sourced from PubChem (CID 54601867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).