5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide

C21H14Cl2N2O2 — CID 15987578

IUPAC5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2n1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-5-6-13-3-2-4-17(20(13)24-12)25-21(26)19-10-9-18(27-19)15-11-14(22)7-8-16(15)23/h2-11H,1H3,(H,25,26)
InChIKeySXVZTZGYHPTOGS-UHFFFAOYSA-N
MW397.26 g/mol
LogP6.36
Rot. Bonds3

About 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide (PubChem CID 15987578) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
PubChem CID15987578
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2n1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-5-6-13-3-2-4-17(20(13)24-12)25-21(26)19-10-9-18(27-19)15-11-14(22)7-8-16(15)23/h2-11H,1H3,(H,25,26)
InChIKeySXVZTZGYHPTOGS-UHFFFAOYSA-N
XLogP6.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide (CID 15987578) is 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide is Cc1ccc2cccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2n1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The InChIKey is SXVZTZGYHPTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c1-12-5-6-13-3-2-4-17(20(13)24-12)25-21(26)19-10-9-18(27-19)15-11-14(22)7-8-16(15)23/h2-11H,1H3,(H,25,26).
What are the key properties of 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide has a molecular weight of 397.26 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide is sourced from PubChem (CID 15987578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).