(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H19ClN2O — CID 110289094

IUPAC(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1ccccc1Cl)C2c1cccnc1
InChIInChI=1S/C22H19ClN2O/c1-15-8-9-18-16(13-15)10-12-25(21(18)17-5-4-11-24-14-17)22(26)19-6-2-3-7-20(19)23/h2-9,11,13-14,21H,10,12H2,1H3
InChIKeyWJEBYNSWSRUQPB-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.83
Rot. Bonds2

About (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110289094) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110289094
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1ccccc1Cl)C2c1cccnc1
InChIInChI=1S/C22H19ClN2O/c1-15-8-9-18-16(13-15)10-12-25(21(18)17-5-4-11-24-14-17)22(26)19-6-2-3-7-20(19)23/h2-9,11,13-14,21H,10,12H2,1H3
InChIKeyWJEBYNSWSRUQPB-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289077
(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110307925
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110628207
6-methyl-N-(2-methylpropyl)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110628203
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400518
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576
(5S)-4-(2-chlorobenzoyl)-8-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 99801625

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110289094) is (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1ccc2c(c1)CCN(C(=O)c1ccccc1Cl)C2c1cccnc1.
What is the InChIKey of (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is WJEBYNSWSRUQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-15-8-9-18-16(13-15)10-12-25(21(18)17-5-4-11-24-14-17)22(26)19-6-2-3-7-20(19)23/h2-9,11,13-14,21H,10,12H2,1H3.
What are the key properties of (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 362.86 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110289094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).