[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone

C22H20N2O — CID 102546473

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12H,13-15H2,1H3
InChIKeyXIXSTIRUKFCVKE-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.18
Rot. Bonds3

About [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone (PubChem CID 102546473) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
PubChem CID102546473
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12H,13-15H2,1H3
InChIKeyXIXSTIRUKFCVKE-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone with MolForge

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Related Compounds

(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102546248
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate
CID 133421468
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
2-(5,6-dimethylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 114474676

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone (CID 102546473) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone is Cc1nc(N2CCc3ccccc3C2)ccc1C(=O)c1ccccc1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone?
The InChIKey is XIXSTIRUKFCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12H,13-15H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone has a molecular weight of 328.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 102546473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).