9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline

C21H19NO2 — CID 59572251

IUPAC9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline
SMILESCc1ccc(N2c3ccccc3Cc3ccoc32)c2c1CCCO2
InChIInChI=1S/C21H19NO2/c1-14-8-9-19(20-17(14)6-4-11-23-20)22-18-7-3-2-5-15(18)13-16-10-12-24-21(16)22/h2-3,5,7-10,12H,4,6,11,13H2,1H3
InChIKeyRLLMFDMARXUEAO-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.29
Rot. Bonds1

About 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline

9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline (PubChem CID 59572251) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline.

Molecular Properties

Compound Name9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline
PubChem CID59572251
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline
SMILESCc1ccc(N2c3ccccc3Cc3ccoc32)c2c1CCCO2
InChIInChI=1S/C21H19NO2/c1-14-8-9-19(20-17(14)6-4-11-23-20)22-18-7-3-2-5-15(18)13-16-10-12-24-21(16)22/h2-3,5,7-10,12H,4,6,11,13H2,1H3
InChIKeyRLLMFDMARXUEAO-UHFFFAOYSA-N
XLogP5.29
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline?
The IUPAC name of 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline (CID 59572251) is 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline.
What is the SMILES notation for 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline?
The canonical SMILES for 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline is Cc1ccc(N2c3ccccc3Cc3ccoc32)c2c1CCCO2.
What is the InChIKey of 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline?
The InChIKey is RLLMFDMARXUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-8-9-19(20-17(14)6-4-11-23-20)22-18-7-3-2-5-15(18)13-16-10-12-24-21(16)22/h2-3,5,7-10,12H,4,6,11,13H2,1H3.
What are the key properties of 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline?
9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline has a molecular weight of 317.39 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline is sourced from PubChem (CID 59572251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).