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

C14H13NO3 — CID 46883414

IUPAC4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one
SMILESCc1cc2c(o1)c(C)cc1c(CO)cc(=O)[nH]c12
InChIInChI=1S/C14H13NO3/c1-7-3-10-9(6-16)5-12(17)15-13(10)11-4-8(2)18-14(7)11/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyDEHPUURHPFTDSP-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.38
Rot. Bonds1

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

4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one (PubChem CID 46883414) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one
PubChem CID46883414
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one
SMILESCc1cc2c(o1)c(C)cc1c(CO)cc(=O)[nH]c12
InChIInChI=1S/C14H13NO3/c1-7-3-10-9(6-16)5-12(17)15-13(10)11-4-8(2)18-14(7)11/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyDEHPUURHPFTDSP-UHFFFAOYSA-N
XLogP2.38
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one?
The IUPAC name of 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one (CID 46883414) is 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one is Cc1cc2c(o1)c(C)cc1c(CO)cc(=O)[nH]c12.
What is the InChIKey of 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one?
The InChIKey is DEHPUURHPFTDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-7-3-10-9(6-16)5-12(17)15-13(10)11-4-8(2)18-14(7)11/h3-5,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one?
4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6,8-dimethyl-1H-furo[2,3-h]quinolin-2-one is sourced from PubChem (CID 46883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).