butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate

C17H19NO2 — CID 101493047

IUPACbutyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1nc2ccccc2cc1C
InChIInChI=1S/C17H19NO2/c1-3-4-11-20-17(19)10-9-15-13(2)12-14-7-5-6-8-16(14)18-15/h5-10,12H,3-4,11H2,1-2H3/b10-9+
InChIKeyXQDZBAMZKGRUHB-MDZDMXLPSA-N
MW269.34 g/mol
LogP3.90
Rot. Bonds5

About butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate

butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate (PubChem CID 101493047) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate
PubChem CID101493047
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebutyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1nc2ccccc2cc1C
InChIInChI=1S/C17H19NO2/c1-3-4-11-20-17(19)10-9-15-13(2)12-14-7-5-6-8-16(14)18-15/h5-10,12H,3-4,11H2,1-2H3/b10-9+
InChIKeyXQDZBAMZKGRUHB-MDZDMXLPSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl (E)-3-[2-(1-methylbenzimidazol-2-yl)phenyl]prop-2-enoate
CID 57332316
butyl (E)-3-pyren-1-ylprop-2-enoate
CID 102493637
methyl 2-[(E)-3-butoxy-3-oxoprop-1-enyl]naphthalene-1-carboxylate
CID 71812562
butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 176901661
butyl (E)-3-[4-(1,3-benzothiazol-2-yl)phenyl]prop-2-enoate
CID 102454644
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate
CID 71615627
3-methylquinoline-2-carbaldehyde
CID 22832126
butyl prop-2-enoate;1,2-xylene
CID 70409011
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
butyl (E)-3-(2-pyrrolo[2,3-b]pyridin-1-ylphenyl)prop-2-enoate
CID 132512074
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471

Frequently Asked Questions

What is the IUPAC name of butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate?
The IUPAC name of butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate (CID 101493047) is butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate.
What is the SMILES notation for butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate?
The canonical SMILES for butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate is CCCCOC(=O)/C=C/c1nc2ccccc2cc1C.
What is the InChIKey of butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate?
The InChIKey is XQDZBAMZKGRUHB-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-4-11-20-17(19)10-9-15-13(2)12-14-7-5-6-8-16(14)18-15/h5-10,12H,3-4,11H2,1-2H3/b10-9+.
What are the key properties of butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate?
butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate is sourced from PubChem (CID 101493047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).