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

C23H23FN2O4 — CID 92611269

IUPAC[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCO[C@H](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/t22-/m0/s1
InChIKeyIHSLBJKBIFBGNV-QFIPXVFZSA-N
MW410.45 g/mol
LogP3.61
Rot. Bonds6

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

[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone (PubChem CID 92611269) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
PubChem CID92611269
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCO[C@H](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/t22-/m0/s1
InChIKeyIHSLBJKBIFBGNV-QFIPXVFZSA-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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Related Compounds

[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 118726314
N-(2,4-dimethyl-5-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 156019072
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
5-{(1S)-2-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}isoquinoline-1-carboxylic acid methylamide
CID 11605001
1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093865
n-[(3s)-5-Pyridin-4-yl-3,4-dihydro-2h-chromen-3-yl]-4-(trifluoromethoxy)benzamide
CID 25113806
5,5-dimethyl-4-(pyridin-4-yl)-3-(4-(quinolin-2-ylmethoxy)phenyl)furan-2(5H)-one
CID 44539913
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
CID 45487320
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-isoquinolin-5-yloxypropan-1-one
CID 45487327
2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 54575103
N-methyl-N-pyridin-4-yl-4-(quinolin-2-ylmethoxy)benzamide
CID 54759276
Pde10A-IN-8
CID 56596230

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone (CID 92611269) is [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1.
What is the InChIKey of [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is IHSLBJKBIFBGNV-QFIPXVFZSA-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/t22-/m0/s1.
What are the key properties of [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone?
[(2S)-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 [(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 92611269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).