1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one

C22H21NO3 — CID 102585977

IUPAC1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one
SMILESCc1cc(C)cc(OCc2c(C)oc3c(=O)n(C)c4ccccc4c23)c1
InChIInChI=1S/C22H21NO3/c1-13-9-14(2)11-16(10-13)25-12-18-15(3)26-21-20(18)17-7-5-6-8-19(17)23(4)22(21)24/h5-11H,12H2,1-4H3
InChIKeyXJWIFAVPVNQMGS-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.79
Rot. Bonds3

About 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one

1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one (PubChem CID 102585977) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one
PubChem CID102585977
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one
SMILESCc1cc(C)cc(OCc2c(C)oc3c(=O)n(C)c4ccccc4c23)c1
InChIInChI=1S/C22H21NO3/c1-13-9-14(2)11-16(10-13)25-12-18-15(3)26-21-20(18)17-7-5-6-8-19(17)23(4)22(21)24/h5-11H,12H2,1-4H3
InChIKeyXJWIFAVPVNQMGS-UHFFFAOYSA-N
XLogP4.79
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511621
2,4,9-trimethylcarbazole
CID 12613661
4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887696
3-(hydroxymethyl)-1-methyl-2-[(4-methylphenoxy)methyl]chromeno[4,3-b]pyrrol-4-one
CID 101159004
3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
CID 54718586
2-ethyl-4-methylfuro[3,2-b]indole
CID 170056766
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
5-methyl-7H-indolo[2,3-c]quinolin-6-one
CID 21445425
ethyl 6-methylfuro[3,2-c]carbazole-2-carboxylate
CID 10661385

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one?
The IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one (CID 102585977) is 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one.
What is the SMILES notation for 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one?
The canonical SMILES for 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one is Cc1cc(C)cc(OCc2c(C)oc3c(=O)n(C)c4ccccc4c23)c1.
What is the InChIKey of 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one?
The InChIKey is XJWIFAVPVNQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-13-9-14(2)11-16(10-13)25-12-18-15(3)26-21-20(18)17-7-5-6-8-19(17)23(4)22(21)24/h5-11H,12H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one?
1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one has a molecular weight of 347.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenoxy)methyl]-2,5-dimethylfuro[2,3-c]quinolin-4-one is sourced from PubChem (CID 102585977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).