2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone

C20H18N2O — CID 166348905

IUPAC2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone
SMILESO=C(Cc1cncc2ccccc12)N1CCC1c1ccccc1
InChIInChI=1S/C20H18N2O/c23-20(22-11-10-19(22)15-6-2-1-3-7-15)12-17-14-21-13-16-8-4-5-9-18(16)17/h1-9,13-14,19H,10-12H2
InChIKeyRQIOWPDKKAGLIV-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.75
Rot. Bonds3

About 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone

2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone (PubChem CID 166348905) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone
PubChem CID166348905
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone
SMILESO=C(Cc1cncc2ccccc12)N1CCC1c1ccccc1
InChIInChI=1S/C20H18N2O/c23-20(22-11-10-19(22)15-6-2-1-3-7-15)12-17-14-21-13-16-8-4-5-9-18(16)17/h1-9,13-14,19H,10-12H2
InChIKeyRQIOWPDKKAGLIV-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
CID 166249951
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 104505267
1-[(2S,4R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
CID 166270070
2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone
CID 134337704
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 24626134
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481
N-[4-(hydroxymethyl)thian-4-yl]-2-isoquinolin-4-ylacetamide
CID 126829290
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
isoquinolin-4-ylmethanethiol
CID 104505444

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone?
The IUPAC name of 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone (CID 166348905) is 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone?
The canonical SMILES for 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone is O=C(Cc1cncc2ccccc12)N1CCC1c1ccccc1.
What is the InChIKey of 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone?
The InChIKey is RQIOWPDKKAGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(22-11-10-19(22)15-6-2-1-3-7-15)12-17-14-21-13-16-8-4-5-9-18(16)17/h1-9,13-14,19H,10-12H2.
What are the key properties of 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone?
2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone has a molecular weight of 302.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone is sourced from PubChem (CID 166348905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).