[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone

C20H18FN3O3 — CID 92598325

IUPAC[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cn1
InChIInChI=1S/C20H18FN3O3/c1-26-19-5-3-14(11-23-19)20(25)24-6-7-27-18(12-24)17-9-15-8-16(21)4-2-13(15)10-22-17/h2-5,8-11,18H,6-7,12H2,1H3/t18-/m1/s1
InChIKeyQWNRZANGFPCGGW-GOSISDBHSA-N
MW367.38 g/mol
LogP2.99
Rot. Bonds3

About [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone

[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 92598325) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID92598325
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cn1
InChIInChI=1S/C20H18FN3O3/c1-26-19-5-3-14(11-23-19)20(25)24-6-7-27-18(12-24)17-9-15-8-16(21)4-2-13(15)10-22-17/h2-5,8-11,18H,6-7,12H2,1H3/t18-/m1/s1
InChIKeyQWNRZANGFPCGGW-GOSISDBHSA-N
XLogP2.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
CID 92594288
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
[2-[5-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 131673391
1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92578316
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 125016156
3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 110218682
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124969041

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone (CID 92598325) is [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cn1.
What is the InChIKey of [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is QWNRZANGFPCGGW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-19-5-3-14(11-23-19)20(25)24-6-7-27-18(12-24)17-9-15-8-16(21)4-2-13(15)10-22-17/h2-5,8-11,18H,6-7,12H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone?
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 367.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 92598325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).