prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate

C14H12Cl2N2O2 — CID 67733952

IUPACprop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate
SMILESC=CCOC(=O)c1cc(NC)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H12Cl2N2O2/c1-3-4-20-14(19)12-7-10(17-2)13-9(16)5-8(15)6-11(13)18-12/h3,5-7H,1,4H2,2H3,(H,17,18)
InChIKeyOVEFQRLAJPLIIV-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.93
Rot. Bonds4

About prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate

prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate (PubChem CID 67733952) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate
PubChem CID67733952
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Nameprop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate
SMILESC=CCOC(=O)c1cc(NC)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H12Cl2N2O2/c1-3-4-20-14(19)12-7-10(17-2)13-9(16)5-8(15)6-11(13)18-12/h3,5-7H,1,4H2,2H3,(H,17,18)
InChIKeyOVEFQRLAJPLIIV-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate?
The IUPAC name of prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate (CID 67733952) is prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate.
What is the SMILES notation for prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate?
The canonical SMILES for prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate is C=CCOC(=O)c1cc(NC)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate?
The InChIKey is OVEFQRLAJPLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-3-4-20-14(19)12-7-10(17-2)13-9(16)5-8(15)6-11(13)18-12/h3,5-7H,1,4H2,2H3,(H,17,18).
What are the key properties of prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate?
prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate has a molecular weight of 311.17 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate is sourced from PubChem (CID 67733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).