(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone

C21H17ClN2O2 — CID 90596810

IUPAC(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C21H17ClN2O2/c22-18-8-7-15-9-11-24(14-17(15)12-18)21(25)16-4-3-5-19(13-16)26-20-6-1-2-10-23-20/h1-8,10,12-13H,9,11,14H2
InChIKeyVXCARDARNGNHSN-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.73
Rot. Bonds3

About (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone

(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone (PubChem CID 90596810) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
PubChem CID90596810
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C21H17ClN2O2/c22-18-8-7-15-9-11-24(14-17(15)12-18)21(25)16-4-3-5-19(13-16)26-20-6-1-2-10-23-20/h1-8,10,12-13H,9,11,14H2
InChIKeyVXCARDARNGNHSN-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone with MolForge

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Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 121187049
3,4-dihydro-1H-isoquinolin-2-yl-(3-pyrimidin-2-yloxyphenyl)methanone
CID 162661158
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenoxy-4-pyridinyl)methanone
CID 56829222
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 8815270
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
CID 146137380
3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanone
CID 133343409
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone (CID 90596810) is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone.
What is the SMILES notation for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The canonical SMILES for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone is O=C(c1cccc(Oc2ccccn2)c1)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The InChIKey is VXCARDARNGNHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-8-7-15-9-11-24(14-17(15)12-18)21(25)16-4-3-5-19(13-16)26-20-6-1-2-10-23-20/h1-8,10,12-13H,9,11,14H2.
What are the key properties of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone?
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone has a molecular weight of 364.83 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone is sourced from PubChem (CID 90596810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).