ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate

C14H13NO3 — CID 169480931

IUPACethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc2c(=O)cc[nH]c12
InChIInChI=1S/C14H13NO3/c1-2-18-13(17)7-6-10-4-3-5-11-12(16)8-9-15-14(10)11/h3-9H,2H2,1H3,(H,15,16)
InChIKeyVVQSLURUKHXYLF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.10
Rot. Bonds3

About ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate

ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate (PubChem CID 169480931) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
PubChem CID169480931
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc2c(=O)cc[nH]c12
InChIInChI=1S/C14H13NO3/c1-2-18-13(17)7-6-10-4-3-5-11-12(16)8-9-15-14(10)11/h3-9H,2H2,1H3,(H,15,16)
InChIKeyVVQSLURUKHXYLF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480024
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
2-amino-3-(3-ethoxy-3-oxoprop-1-enyl)benzoic acid
CID 169480669
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl 3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 169480315
ethyl (Z)-3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 135341226

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate (CID 169480931) is ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate is CCOC(=O)C=Cc1cccc2c(=O)cc[nH]c12.
What is the InChIKey of ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate?
The InChIKey is VVQSLURUKHXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-13(17)7-6-10-4-3-5-11-12(16)8-9-15-14(10)11/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate?
ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate has a molecular weight of 243.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate is sourced from PubChem (CID 169480931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).