ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate

C19H18N2O2 — CID 67392515

IUPACethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc3ccccc3n2)cn1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)18-12-14(13-21(18)2)8-10-16-11-9-15-6-4-5-7-17(15)20-16/h4-13H,3H2,1-2H3/b10-8+
InChIKeyAYKJIRNEJYKWQT-CSKARUKUSA-N
MW306.37 g/mol
LogP3.92
Rot. Bonds4

About ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate

ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate (PubChem CID 67392515) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate
PubChem CID67392515
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc3ccccc3n2)cn1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)18-12-14(13-21(18)2)8-10-16-11-9-15-6-4-5-7-17(15)20-16/h4-13H,3H2,1-2H3/b10-8+
InChIKeyAYKJIRNEJYKWQT-CSKARUKUSA-N
XLogP3.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate (CID 67392515) is ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate is CCOC(=O)c1cc(/C=C/c2ccc3ccccc3n2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate?
The InChIKey is AYKJIRNEJYKWQT-CSKARUKUSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-19(22)18-12-14(13-21(18)2)8-10-16-11-9-15-6-4-5-7-17(15)20-16/h4-13H,3H2,1-2H3/b10-8+.
What are the key properties of ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate?
ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate is sourced from PubChem (CID 67392515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).