3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one

C25H26N2O4 — CID 26363503

IUPAC3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCOc1cc2cc(CNCc3ccco3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-6-8-18(9-7-17)16-27-22-13-24(30-3)23(29-2)12-19(22)11-20(25(27)28)14-26-15-21-5-4-10-31-21/h4-13,26H,14-16H2,1-3H3
InChIKeyHBISKAJANUFKNF-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.26
Rot. Bonds8

About 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one

3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one (PubChem CID 26363503) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
PubChem CID26363503
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCOc1cc2cc(CNCc3ccco3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-6-8-18(9-7-17)16-27-22-13-24(30-3)23(29-2)12-19(22)11-20(25(27)28)14-26-15-21-5-4-10-31-21/h4-13,26H,14-16H2,1-3H3
InChIKeyHBISKAJANUFKNF-UHFFFAOYSA-N
XLogP4.26
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one?
The IUPAC name of 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one (CID 26363503) is 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one is COc1cc2cc(CNCc3ccco3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one?
The InChIKey is HBISKAJANUFKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-6-8-18(9-7-17)16-27-22-13-24(30-3)23(29-2)12-19(22)11-20(25(27)28)14-26-15-21-5-4-10-31-21/h4-13,26H,14-16H2,1-3H3.
What are the key properties of 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one?
3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one has a molecular weight of 418.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 26363503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).