5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide

C21H15ClN2O2 — CID 15991503

IUPAC5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2n1
InChIInChI=1S/C21H15ClN2O2/c1-13-8-9-14-4-3-7-17(20(14)23-13)24-21(25)19-11-10-18(26-19)15-5-2-6-16(22)12-15/h2-12H,1H3,(H,24,25)
InChIKeyZDZXLWYQGNAFBF-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.71
Rot. Bonds3

About 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide

5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide (PubChem CID 15991503) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
PubChem CID15991503
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2n1
InChIInChI=1S/C21H15ClN2O2/c1-13-8-9-14-4-3-7-17(20(14)23-13)24-21(25)19-11-10-18(26-19)15-5-2-6-16(22)12-15/h2-12H,1H3,(H,24,25)
InChIKeyZDZXLWYQGNAFBF-UHFFFAOYSA-N
XLogP5.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569
5-(3-chlorophenyl)-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 880542
5-(3-chlorophenyl)-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 17099107
N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
CID 2993763
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
5-(3-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2890095
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide (CID 15991503) is 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide is Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2n1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
The InChIKey is ZDZXLWYQGNAFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-13-8-9-14-4-3-7-17(20(14)23-13)24-21(25)19-11-10-18(26-19)15-5-2-6-16(22)12-15/h2-12H,1H3,(H,24,25).
What are the key properties of 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide?
5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2-methylquinolin-8-yl)furan-2-carboxamide is sourced from PubChem (CID 15991503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).