N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide

C22H18N2O3 — CID 59740701

IUPACN-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H18N2O3/c25-21-13-17(18-9-4-5-10-19(18)23-21)15-24(14-16-7-2-1-3-8-16)22(26)20-11-6-12-27-20/h1-13H,14-15H2,(H,23,25)
InChIKeySJFPUVPKGDIBME-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide

N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 59740701) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID59740701
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)Cc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H18N2O3/c25-21-13-17(18-9-4-5-10-19(18)23-21)15-24(14-16-7-2-1-3-8-16)22(26)20-11-6-12-27-20/h1-13H,14-15H2,(H,23,25)
InChIKeySJFPUVPKGDIBME-UHFFFAOYSA-N
XLogP3.96
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
N-(3-chlorophenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740649
4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one
CID 59740730
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135429053
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
CID 101020572
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896805
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 1453527

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (CID 59740701) is N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccc1)Cc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is SJFPUVPKGDIBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21-13-17(18-9-4-5-10-19(18)23-21)15-24(14-16-7-2-1-3-8-16)22(26)20-11-6-12-27-20/h1-13H,14-15H2,(H,23,25).
What are the key properties of N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 59740701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).