2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide

C21H16N2O2 — CID 868692

IUPAC2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H16N2O2/c1-14-7-2-4-9-17(14)23-21(24)16-13-19(20-11-6-12-25-20)22-18-10-5-3-8-15(16)18/h2-13H,1H3,(H,23,24)
InChIKeySKKKSVYBRORTEZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.06
Rot. Bonds3

About 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 868692) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID868692
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H16N2O2/c1-14-7-2-4-9-17(14)23-21(24)16-13-19(20-11-6-12-25-20)22-18-10-5-3-8-15(16)18/h2-13H,1H3,(H,23,24)
InChIKeySKKKSVYBRORTEZ-UHFFFAOYSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide (CID 868692) is 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide is Cc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is SKKKSVYBRORTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-7-2-4-9-17(14)23-21(24)16-13-19(20-11-6-12-25-20)22-18-10-5-3-8-15(16)18/h2-13H,1H3,(H,23,24).
What are the key properties of 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 868692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).