4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline

C25H21NO2 — CID 74539934

IUPAC4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2cncc(Cc3ccc4c(c3)Cc3ccccc3-4)c2cc1OC
InChIInChI=1S/C25H21NO2/c1-27-24-12-20-15-26-14-19(23(20)13-25(24)28-2)10-16-7-8-22-18(9-16)11-17-5-3-4-6-21(17)22/h3-9,12-15H,10-11H2,1-2H3
InChIKeyVTLRBOUCHJFANG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.41
Rot. Bonds4

About 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline

4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline (PubChem CID 74539934) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline
PubChem CID74539934
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2cncc(Cc3ccc4c(c3)Cc3ccccc3-4)c2cc1OC
InChIInChI=1S/C25H21NO2/c1-27-24-12-20-15-26-14-19(23(20)13-25(24)28-2)10-16-7-8-22-18(9-16)11-17-5-3-4-6-21(17)22/h3-9,12-15H,10-11H2,1-2H3
InChIKeyVTLRBOUCHJFANG-UHFFFAOYSA-N
XLogP5.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The IUPAC name of 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline (CID 74539934) is 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The canonical SMILES for 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline is COc1cc2cncc(Cc3ccc4c(c3)Cc3ccccc3-4)c2cc1OC.
What is the InChIKey of 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The InChIKey is VTLRBOUCHJFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-27-24-12-20-15-26-14-19(23(20)13-25(24)28-2)10-16-7-8-22-18(9-16)11-17-5-3-4-6-21(17)22/h3-9,12-15H,10-11H2,1-2H3.
What are the key properties of 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline?
4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline has a molecular weight of 367.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-ylmethyl)-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 74539934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).