ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate

C15H16N2O2 — CID 13295816

IUPACethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
SMILESC=CCNc1c(C(=O)OCC)cnc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,16,17)
InChIKeyPQZVCTJKRALTHL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.01
Rot. Bonds5

About ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate

ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate (PubChem CID 13295816) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
PubChem CID13295816
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
SMILESC=CCNc1c(C(=O)OCC)cnc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,16,17)
InChIKeyPQZVCTJKRALTHL-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-nitro-4-(prop-2-enylamino)quinoline-3-carboxylate
CID 3319460
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]quinoline-3-carboxylate
CID 49429094
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate (CID 13295816) is ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate is C=CCNc1c(C(=O)OCC)cnc2ccccc12.
What is the InChIKey of ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate?
The InChIKey is PQZVCTJKRALTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,16,17).
What are the key properties of ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate?
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate is sourced from PubChem (CID 13295816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).