N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide

C24H22N2O3 — CID 1453575

IUPACN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C24H22N2O3/c1-2-17-10-11-22-19(13-17)14-20(23(27)25-22)15-26(16-21-9-6-12-29-21)24(28)18-7-4-3-5-8-18/h3-14H,2,15-16H2,1H3,(H,25,27)
InChIKeyIWVXJWLRSTXJIS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.53
Rot. Bonds6

About N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1453575) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1453575
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C24H22N2O3/c1-2-17-10-11-22-19(13-17)14-20(23(27)25-22)15-26(16-21-9-6-12-29-21)24(28)18-7-4-3-5-8-18/h3-14H,2,15-16H2,1H3,(H,25,27)
InChIKeyIWVXJWLRSTXJIS-UHFFFAOYSA-N
XLogP4.53
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 1453575) is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide is CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1.
What is the InChIKey of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IWVXJWLRSTXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-17-10-11-22-19(13-17)14-20(23(27)25-22)15-26(16-21-9-6-12-29-21)24(28)18-7-4-3-5-8-18/h3-14H,2,15-16H2,1H3,(H,25,27).
What are the key properties of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1453575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).