N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

C21H16N2O2 — CID 2188237

IUPACN-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24)
InChIKeyOYHXBMMYGNHLIE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.42
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 2188237) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
PubChem CID2188237
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24)
InChIKeyOYHXBMMYGNHLIE-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3431017
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
2-(4-hydroxyphenyl)-N-(1,3-oxazol-5-ylmethyl)quinoline-4-carboxamide
CID 166385963
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (CID 2188237) is N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is OYHXBMMYGNHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2188237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).