8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one

C15H15NO3 — CID 46883450

IUPAC8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one
SMILESCc1cc(=O)[nH]c2c1cc(C)c1oc(CO)c(C)c12
InChIInChI=1S/C15H15NO3/c1-7-5-12(18)16-14-10(7)4-8(2)15-13(14)9(3)11(6-17)19-15/h4-5,17H,6H2,1-3H3,(H,16,18)
InChIKeyRMPRKPVVCHNVCU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.69
Rot. Bonds1

About 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one

8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one (PubChem CID 46883450) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one
PubChem CID46883450
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one
SMILESCc1cc(=O)[nH]c2c1cc(C)c1oc(CO)c(C)c12
InChIInChI=1S/C15H15NO3/c1-7-5-12(18)16-14-10(7)4-8(2)15-13(14)9(3)11(6-17)19-15/h4-5,17H,6H2,1-3H3,(H,16,18)
InChIKeyRMPRKPVVCHNVCU-UHFFFAOYSA-N
XLogP2.69
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one?
The IUPAC name of 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one (CID 46883450) is 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one.
What is the SMILES notation for 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one?
The canonical SMILES for 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one is Cc1cc(=O)[nH]c2c1cc(C)c1oc(CO)c(C)c12.
What is the InChIKey of 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one?
The InChIKey is RMPRKPVVCHNVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-7-5-12(18)16-14-10(7)4-8(2)15-13(14)9(3)11(6-17)19-15/h4-5,17H,6H2,1-3H3,(H,16,18).
What are the key properties of 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one?
8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one is sourced from PubChem (CID 46883450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).