6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one

C21H21NO3 — CID 118715255

IUPAC6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-14-8-9-16-17(12-14)22(10-11-23)18-13-25-21(24)20(18)19(16)15-6-4-3-5-7-15/h3-9,12,19,23H,2,10-11,13H2,1H3
InChIKeyKEKFFONSYPZULV-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.00
Rot. Bonds4

About 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one

6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one (PubChem CID 118715255) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
PubChem CID118715255
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-14-8-9-16-17(12-14)22(10-11-23)18-13-25-21(24)20(18)19(16)15-6-4-3-5-7-15/h3-9,12,19,23H,2,10-11,13H2,1H3
InChIKeyKEKFFONSYPZULV-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The IUPAC name of 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one (CID 118715255) is 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one.
What is the SMILES notation for 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The canonical SMILES for 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one is CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1.
What is the InChIKey of 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The InChIKey is KEKFFONSYPZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-14-8-9-16-17(12-14)22(10-11-23)18-13-25-21(24)20(18)19(16)15-6-4-3-5-7-15/h3-9,12,19,23H,2,10-11,13H2,1H3.
What are the key properties of 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one has a molecular weight of 335.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one is sourced from PubChem (CID 118715255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).