3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone

C24H25N3O — CID 109158481

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C24H25N3O/c1-3-27(22-10-6-7-18(2)15-22)23-12-11-20(16-25-23)24(28)26-14-13-19-8-4-5-9-21(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyRTPRSAWCMZYYIO-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.75
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone (PubChem CID 109158481) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
PubChem CID109158481
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C24H25N3O/c1-3-27(22-10-6-7-18(2)15-22)23-12-11-20(16-25-23)24(28)26-14-13-19-8-4-5-9-21(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyRTPRSAWCMZYYIO-UHFFFAOYSA-N
XLogP4.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158432
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
3,4-dihydro-1H-isoquinolin-2-yl-[6-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158434
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
2-(N-ethyl-3-methylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168022
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192147
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109259661

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone (CID 109158481) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone is CCN(c1cccc(C)c1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone?
The InChIKey is RTPRSAWCMZYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-27(22-10-6-7-18(2)15-22)23-12-11-20(16-25-23)24(28)26-14-13-19-8-4-5-9-21(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109158481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).