N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C22H18N2O3 — CID 2259442

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-16-10-8-15(9-11-16)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-27-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyXVTVIPHLRKENSJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 2259442) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID2259442
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-16-10-8-15(9-11-16)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-27-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyXVTVIPHLRKENSJ-UHFFFAOYSA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 2259442) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XVTVIPHLRKENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-16-10-8-15(9-11-16)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-27-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2259442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).