N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H24N2O5 — CID 667379

IUPACN-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC
InChIInChI=1S/C25H24N2O5/c1-16-6-8-21-18(11-16)12-19(24(28)26-21)14-27(15-20-5-4-10-32-20)25(29)17-7-9-22(30-2)23(13-17)31-3/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeyZGZQCWZPCJQFIT-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.29
Rot. Bonds7

About N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 667379) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID667379
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC
InChIInChI=1S/C25H24N2O5/c1-16-6-8-21-18(11-16)12-19(24(28)26-21)14-27(15-20-5-4-10-32-20)25(29)17-7-9-22(30-2)23(13-17)31-3/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeyZGZQCWZPCJQFIT-UHFFFAOYSA-N
XLogP4.29
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 667379) is N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is ZGZQCWZPCJQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16-6-8-21-18(11-16)12-19(24(28)26-21)14-27(15-20-5-4-10-32-20)25(29)17-7-9-22(30-2)23(13-17)31-3/h4-13H,14-15H2,1-3H3,(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).