(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone

C19H19ClN2O — CID 121017117

IUPAC(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H19ClN2O/c20-18-8-4-3-7-17(18)19(23)22-12-16(13-22)21-10-9-14-5-1-2-6-15(14)11-21/h1-8,16H,9-13H2
InChIKeyYITGIIQVMRHFEF-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.22
Rot. Bonds2

About (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone

(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone (PubChem CID 121017117) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
PubChem CID121017117
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H19ClN2O/c20-18-8-4-3-7-17(18)19(23)22-12-16(13-22)21-10-9-14-5-1-2-6-15(14)11-21/h1-8,16H,9-13H2
InChIKeyYITGIIQVMRHFEF-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,4-dichlorophenyl)phenyl]-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153401
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 121153399
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidine-1-carbonyl]benzonitrile
CID 121153318
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 119099914
2-cyclopropyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]ethanone
CID 121153583
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]butan-1-one;hydrochloride
CID 121017114
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017119
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121153337
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-methoxyphenyl)methanone
CID 121153325

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone (CID 121017117) is (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CC(N2CCc3ccccc3C2)C1.
What is the InChIKey of (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The InChIKey is YITGIIQVMRHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-18-8-4-3-7-17(18)19(23)22-12-16(13-22)21-10-9-14-5-1-2-6-15(14)11-21/h1-8,16H,9-13H2.
What are the key properties of (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone has a molecular weight of 326.83 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121017117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).