7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one

C24H22N2O6 — CID 171614034

IUPAC7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(CO)ccc2c2c1COC2.O=c1[nH]c2cc(CO)ccc2c2c1COC2
InChIInChI=1S/2C12H11NO3/c2*14-4-7-1-2-8-9-5-16-6-10(9)12(15)13-11(8)3-7/h2*1-3,14H,4-6H2,(H,13,15)
InChIKeyYWUNBZZYFCNGMQ-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.10
Rot. Bonds2

About 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one

7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one (PubChem CID 171614034) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
PubChem CID171614034
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(CO)ccc2c2c1COC2.O=c1[nH]c2cc(CO)ccc2c2c1COC2
InChIInChI=1S/2C12H11NO3/c2*14-4-7-1-2-8-9-5-16-6-10(9)12(15)13-11(8)3-7/h2*1-3,14H,4-6H2,(H,13,15)
InChIKeyYWUNBZZYFCNGMQ-UHFFFAOYSA-N
XLogP2.10
TPSA124.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The IUPAC name of 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one (CID 171614034) is 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one is O=c1[nH]c2cc(CO)ccc2c2c1COC2.O=c1[nH]c2cc(CO)ccc2c2c1COC2.
What is the InChIKey of 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The InChIKey is YWUNBZZYFCNGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO3/c2*14-4-7-1-2-8-9-5-16-6-10(9)12(15)13-11(8)3-7/h2*1-3,14H,4-6H2,(H,13,15).
What are the key properties of 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one has a molecular weight of 434.45 g/mol, XLogP of 2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one is sourced from PubChem (CID 171614034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).