ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate

C15H16N2O3 — CID 135137752

IUPACethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2cc(N)ccc2n(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-14(18)7-4-10-8-11-9-12(16)5-6-13(11)17(2)15(10)19/h4-9H,3,16H2,1-2H3/b7-4+
InChIKeyUJSKJHFYOYMYCN-QPJJXVBHSA-N
MW272.30 g/mol
LogP1.70
Rot. Bonds3

About ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate

ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate (PubChem CID 135137752) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
PubChem CID135137752
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2cc(N)ccc2n(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-14(18)7-4-10-8-11-9-12(16)5-6-13(11)17(2)15(10)19/h4-9H,3,16H2,1-2H3/b7-4+
InChIKeyUJSKJHFYOYMYCN-QPJJXVBHSA-N
XLogP1.70
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
ethyl 3-(2-amino-5-cyanophenyl)prop-2-enoate
CID 169480310
methyl (E)-3-[4-amino-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 20667123
1,2-dimethylindol-5-amine
CID 6484710
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate (CID 135137752) is ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc2cc(N)ccc2n(C)c1=O.
What is the InChIKey of ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate?
The InChIKey is UJSKJHFYOYMYCN-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-14(18)7-4-10-8-11-9-12(16)5-6-13(11)17(2)15(10)19/h4-9H,3,16H2,1-2H3/b7-4+.
What are the key properties of ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate?
ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate is sourced from PubChem (CID 135137752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).