ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate

C22H16Cl2N4O3 — CID 19592824

IUPACethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1
InChIInChI=1S/C22H16Cl2N4O3/c1-2-31-22(30)14-11-26-19-13(20(14)28-10-9-25-12-28)5-3-8-17(19)27-21(29)18-15(23)6-4-7-16(18)24/h3-12H,2H2,1H3,(H,27,29)
InChIKeyQUZVDUXPKJJURQ-UHFFFAOYSA-N
MW455.30 g/mol
LogP5.16
Rot. Bonds5

About ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate

ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate (PubChem CID 19592824) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate
PubChem CID19592824
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC Nameethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1
InChIInChI=1S/C22H16Cl2N4O3/c1-2-31-22(30)14-11-26-19-13(20(14)28-10-9-25-12-28)5-3-8-17(19)27-21(29)18-15(23)6-4-7-16(18)24/h3-12H,2H2,1H3,(H,27,29)
InChIKeyQUZVDUXPKJJURQ-UHFFFAOYSA-N
XLogP5.16
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate (CID 19592824) is ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1ccnc1.
What is the InChIKey of ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate?
The InChIKey is QUZVDUXPKJJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c1-2-31-22(30)14-11-26-19-13(20(14)28-10-9-25-12-28)5-3-8-17(19)27-21(29)18-15(23)6-4-7-16(18)24/h3-12H,2H2,1H3,(H,27,29).
What are the key properties of ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate?
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate has a molecular weight of 455.30 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 19592824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).