5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide

C20H12Cl2N2O2 — CID 1254513

IUPAC5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H12Cl2N2O2/c21-12-6-7-13(15(22)11-12)18-8-9-19(26-18)20(25)24-17-5-1-4-16-14(17)3-2-10-23-16/h1-11H,(H,24,25)
InChIKeyOWGJIWIJKJMZFH-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.05
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide

5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide (PubChem CID 1254513) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide
PubChem CID1254513
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H12Cl2N2O2/c21-12-6-7-13(15(22)11-12)18-8-9-19(26-18)20(25)24-17-5-1-4-16-14(17)3-2-10-23-16/h1-11H,(H,24,25)
InChIKeyOWGJIWIJKJMZFH-UHFFFAOYSA-N
XLogP6.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide (CID 1254513) is 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide is O=C(Nc1cccc2ncccc12)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide?
The InChIKey is OWGJIWIJKJMZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-12-6-7-13(15(22)11-12)18-8-9-19(26-18)20(25)24-17-5-1-4-16-14(17)3-2-10-23-16/h1-11H,(H,24,25).
What are the key properties of 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide?
5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide has a molecular weight of 383.23 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide is sourced from PubChem (CID 1254513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).