[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone

C23H23FN2O4 — CID 110218671

IUPAC[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCOC(c3cc4cc(F)ccc4cn3)C2)cc1
InChIInChI=1S/C23H23FN2O4/c1-28-10-11-29-20-6-3-16(4-7-20)23(27)26-8-9-30-22(15-26)21-13-18-12-19(24)5-2-17(18)14-25-21/h2-7,12-14,22H,8-11,15H2,1H3
InChIKeyIHSLBJKBIFBGNV-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.61
Rot. Bonds6

About [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone

[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone (PubChem CID 110218671) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
PubChem CID110218671
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCOC(c3cc4cc(F)ccc4cn3)C2)cc1
InChIInChI=1S/C23H23FN2O4/c1-28-10-11-29-20-6-3-16(4-7-20)23(27)26-8-9-30-22(15-26)21-13-18-12-19(24)5-2-17(18)14-25-21/h2-7,12-14,22H,8-11,15H2,1H3
InChIKeyIHSLBJKBIFBGNV-UHFFFAOYSA-N
XLogP3.61
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone (CID 110218671) is [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccc(C(=O)N2CCOC(c3cc4cc(F)ccc4cn3)C2)cc1.
What is the InChIKey of [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is IHSLBJKBIFBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-28-10-11-29-20-6-3-16(4-7-20)23(27)26-8-9-30-22(15-26)21-13-18-12-19(24)5-2-17(18)14-25-21/h2-7,12-14,22H,8-11,15H2,1H3.
What are the key properties of [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 410.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 110218671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).