[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C18H24N2O — CID 124842290

IUPAC[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCN1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-13-16-7-5-4-6-15(16)12-17(19)18(21)20-10-8-14(2)9-11-20/h4-8,17H,3,9-13H2,1-2H3/t17-/m1/s1
InChIKeyBZFYCHGPNIQVOI-QGZVFWFLSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds2

About [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 124842290) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID124842290
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCN1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-13-16-7-5-4-6-15(16)12-17(19)18(21)20-10-8-14(2)9-11-20/h4-8,17H,3,9-13H2,1-2H3/t17-/m1/s1
InChIKeyBZFYCHGPNIQVOI-QGZVFWFLSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 124842290) is [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCN1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C)CC1.
What is the InChIKey of [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is BZFYCHGPNIQVOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-13-16-7-5-4-6-15(16)12-17(19)18(21)20-10-8-14(2)9-11-20/h4-8,17H,3,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 124842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).