1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one

C21H19NO2 — CID 44563551

IUPAC1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one
SMILESCc1oc2ccc3c(C)cc(=O)n(Cc4ccccc4)c3c2c1C
InChIInChI=1S/C21H19NO2/c1-13-11-19(23)22(12-16-7-5-4-6-8-16)21-17(13)9-10-18-20(21)14(2)15(3)24-18/h4-11H,12H2,1-3H3
InChIKeyMILRBNGKFKCGQG-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.72
Rot. Bonds2

About 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one

1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one (PubChem CID 44563551) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one
PubChem CID44563551
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one
SMILESCc1oc2ccc3c(C)cc(=O)n(Cc4ccccc4)c3c2c1C
InChIInChI=1S/C21H19NO2/c1-13-11-19(23)22(12-16-7-5-4-6-8-16)21-17(13)9-10-18-20(21)14(2)15(3)24-18/h4-11H,12H2,1-3H3
InChIKeyMILRBNGKFKCGQG-UHFFFAOYSA-N
XLogP4.72
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one?
The IUPAC name of 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one (CID 44563551) is 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one.
What is the SMILES notation for 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one?
The canonical SMILES for 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one is Cc1oc2ccc3c(C)cc(=O)n(Cc4ccccc4)c3c2c1C.
What is the InChIKey of 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one?
The InChIKey is MILRBNGKFKCGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-11-19(23)22(12-16-7-5-4-6-8-16)21-17(13)9-10-18-20(21)14(2)15(3)24-18/h4-11H,12H2,1-3H3.
What are the key properties of 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one?
1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,8,9-trimethylfuro[2,3-h]quinolin-2-one is sourced from PubChem (CID 44563551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).