3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

C23H19FN4O — CID 46985566

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCc4ccccc4C3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C23H19FN4O/c1-27-13-17(12-25-27)22-11-20(19-10-18(24)6-7-21(19)26-22)23(29)28-9-8-15-4-2-3-5-16(15)14-28/h2-7,10-13H,8-9,14H2,1H3
InChIKeyJZOGCBPZRMYIPB-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.97
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 46985566) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID46985566
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCc4ccccc4C3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C23H19FN4O/c1-27-13-17(12-25-27)22-11-20(19-10-18(24)6-7-21(19)26-22)23(29)28-9-8-15-4-2-3-5-16(15)14-28/h2-7,10-13H,8-9,14H2,1H3
InChIKeyJZOGCBPZRMYIPB-UHFFFAOYSA-N
XLogP3.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (CID 46985566) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is Cn1cc(-c2cc(C(=O)N3CCc4ccccc4C3)c3cc(F)ccc3n2)cn1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is JZOGCBPZRMYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-27-13-17(12-25-27)22-11-20(19-10-18(24)6-7-21(19)26-22)23(29)28-9-8-15-4-2-3-5-16(15)14-28/h2-7,10-13H,8-9,14H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 46985566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).