ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate

C18H14Cl2N2O2 — CID 12923182

IUPACethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)cc2ccccc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)12-10-11-6-3-4-9-15(11)22(17(12)21)16-13(19)7-5-8-14(16)20/h3-10,21H,2H2,1H3/b21-17+
InChIKeySQEOYWVUJIPLKN-HEHNFIMWSA-N
MW361.23 g/mol
LogP4.59
Rot. Bonds3

About ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate

ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate (PubChem CID 12923182) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate
PubChem CID12923182
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Nameethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)cc2ccccc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)12-10-11-6-3-4-9-15(11)22(17(12)21)16-13(19)7-5-8-14(16)20/h3-10,21H,2H2,1H3/b21-17+
InChIKeySQEOYWVUJIPLKN-HEHNFIMWSA-N
XLogP4.59
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate (CID 12923182) is ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate is [H]/N=c1\c(C(=O)OCC)cc2ccccc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate?
The InChIKey is SQEOYWVUJIPLKN-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)12-10-11-6-3-4-9-15(11)22(17(12)21)16-13(19)7-5-8-14(16)20/h3-10,21H,2H2,1H3/b21-17+.
What are the key properties of ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate?
ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate is sourced from PubChem (CID 12923182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).