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

C20H19NO4 — CID 91826517

IUPAC4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3
InChIKeySMEJQLRLHKWIFV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.45
Rot. Bonds4

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

4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one (PubChem CID 91826517) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
PubChem CID91826517
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3
InChIKeySMEJQLRLHKWIFV-UHFFFAOYSA-N
XLogP2.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The IUPAC name of 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one (CID 91826517) is 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The canonical SMILES for 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one is COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1.
What is the InChIKey of 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The InChIKey is SMEJQLRLHKWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one?
4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one has a molecular weight of 337.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one is sourced from PubChem (CID 91826517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).