4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C21H23FN4O — CID 68994396

IUPAC4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)c(F)cc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C21H23FN4O/c1-25-12-16-9-21(26-4-6-27-7-5-26)19(22)10-17(16)18(13-25)14-2-3-15-11-23-24-20(15)8-14/h2-3,8-11,18H,4-7,12-13H2,1H3,(H,23,24)
InChIKeyKCBLNHFJRHYKKV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.12
Rot. Bonds2

About 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 68994396) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID68994396
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)c(F)cc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C21H23FN4O/c1-25-12-16-9-21(26-4-6-27-7-5-26)19(22)10-17(16)18(13-25)14-2-3-15-11-23-24-20(15)8-14/h2-3,8-11,18H,4-7,12-13H2,1H3,(H,23,24)
InChIKeyKCBLNHFJRHYKKV-UHFFFAOYSA-N
XLogP3.12
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 68994396) is 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is CN1Cc2cc(N3CCOCC3)c(F)cc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is KCBLNHFJRHYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-12-16-9-21(26-4-6-27-7-5-26)19(22)10-17(16)18(13-25)14-2-3-15-11-23-24-20(15)8-14/h2-3,8-11,18H,4-7,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 366.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 68994396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).