[(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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Related Compounds

[(3aS,5S,6S,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 95552384
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
1-[[1-[(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 96571869
1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114411873
5-(2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 50959722
N-ethyl-N-phenyl-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 51952777
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,4-dihydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 4593673
ethyl 4-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazine-1-carboxylate
CID 30747973
[2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 4264806
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone;hydrochloride
CID 70814930
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 123852377
1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954460

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).