3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

C19H18ClN3O — CID 75538330

IUPAC3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
SMILESO=C(CCn1ncc2ccc(Cl)cc21)N1CCc2ccccc2C1
InChIInChI=1S/C19H18ClN3O/c20-17-6-5-15-12-21-23(18(15)11-17)10-8-19(24)22-9-7-14-3-1-2-4-16(14)13-22/h1-6,11-12H,7-10,13H2
InChIKeyLNLUDOISMMMNGE-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.66
Rot. Bonds3

About 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one (PubChem CID 75538330) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
PubChem CID75538330
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
SMILESO=C(CCn1ncc2ccc(Cl)cc21)N1CCc2ccccc2C1
InChIInChI=1S/C19H18ClN3O/c20-17-6-5-15-12-21-23(18(15)11-17)10-8-19(24)22-9-7-14-3-1-2-4-16(14)13-22/h1-6,11-12H,7-10,13H2
InChIKeyLNLUDOISMMMNGE-UHFFFAOYSA-N
XLogP3.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
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3-(5-chloro-2-methylanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
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1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
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1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
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3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029324
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The IUPAC name of 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one (CID 75538330) is 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.
What is the SMILES notation for 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The canonical SMILES for 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one is O=C(CCn1ncc2ccc(Cl)cc21)N1CCc2ccccc2C1.
What is the InChIKey of 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The InChIKey is LNLUDOISMMMNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-17-6-5-15-12-21-23(18(15)11-17)10-8-19(24)22-9-7-14-3-1-2-4-16(14)13-22/h1-6,11-12H,7-10,13H2.
What are the key properties of 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one has a molecular weight of 339.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one is sourced from PubChem (CID 75538330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).