3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone

C24H25N3O2 — CID 109191966

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-22-9-6-18(7-10-22)12-14-25-21-8-11-23(26-16-21)24(28)27-15-13-19-4-2-3-5-20(19)17-27/h2-11,16,25H,12-15,17H2,1H3
InChIKeyXWHGKHGJAWRVEZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.94
Rot. Bonds6

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone (PubChem CID 109191966) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
PubChem CID109191966
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-22-9-6-18(7-10-22)12-14-25-21-8-11-23(26-16-21)24(28)27-15-13-19-4-2-3-5-20(19)17-27/h2-11,16,25H,12-15,17H2,1H3
InChIKeyXWHGKHGJAWRVEZ-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948070
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanone
CID 109308091
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109213749
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone (CID 109191966) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone is COc1ccc(CCNc2ccc(C(=O)N3CCc4ccccc4C3)nc2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The InChIKey is XWHGKHGJAWRVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-22-9-6-18(7-10-22)12-14-25-21-8-11-23(26-16-21)24(28)27-15-13-19-4-2-3-5-20(19)17-27/h2-11,16,25H,12-15,17H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone has a molecular weight of 387.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109191966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).