2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

C23H20N2O4 — CID 1009671

IUPAC2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H20N2O4/c1-27-21-10-9-15(12-22(21)28-2)20-13-18(17-7-3-4-8-19(17)25-20)23(26)24-14-16-6-5-11-29-16/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyMALWMBATOCDYNQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.44
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1009671) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1009671
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H20N2O4/c1-27-21-10-9-15(12-22(21)28-2)20-13-18(17-7-3-4-8-19(17)25-20)23(26)24-14-16-6-5-11-29-16/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyMALWMBATOCDYNQ-UHFFFAOYSA-N
XLogP4.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (CID 1009671) is 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is MALWMBATOCDYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-21-10-9-15(12-22(21)28-2)20-13-18(17-7-3-4-8-19(17)25-20)23(26)24-14-16-6-5-11-29-16/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).