3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline

C24H22Cl2N2O — CID 70160625

IUPAC3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C(C(C)c1ccccc1)N=C(Cc1c(Cl)cncc1Cl)C2
InChIInChI=1S/C24H22Cl2N2O/c1-15(16-6-4-3-5-7-16)24-20-12-19(29-2)9-8-17(20)10-18(28-24)11-21-22(25)13-27-14-23(21)26/h3-9,12-15,24H,10-11H2,1-2H3
InChIKeyFTYOGXZKJYXIEO-UHFFFAOYSA-N
MW425.36 g/mol
LogP6.48
Rot. Bonds5

About 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline

3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline (PubChem CID 70160625) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline
PubChem CID70160625
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C(C(C)c1ccccc1)N=C(Cc1c(Cl)cncc1Cl)C2
InChIInChI=1S/C24H22Cl2N2O/c1-15(16-6-4-3-5-7-16)24-20-12-19(29-2)9-8-17(20)10-18(28-24)11-21-22(25)13-27-14-23(21)26/h3-9,12-15,24H,10-11H2,1-2H3
InChIKeyFTYOGXZKJYXIEO-UHFFFAOYSA-N
XLogP6.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline with MolForge

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Related Compounds

1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-4-(pyrrolidin-1-ylmethyl)phthalazine
CID 18381638
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-(2-phenylethyl)-1H-cinnoline
CID 141015297
7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
CID 114672307
2-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-oxophthalazin-2-yl]acetic acid
CID 18381601
3,5-dichloro-4-(1-phenylethyl)pyridine
CID 171475417
2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
CID 63434336
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
3-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxyphthalazin-1-yl]-4-methoxybenzoic acid
CID 11754452
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
9-methoxy-11-phenyl-11H-benzo[a]fluorene
CID 121348426
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline?
The IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline (CID 70160625) is 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline.
What is the SMILES notation for 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline?
The canonical SMILES for 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline is COc1ccc2c(c1)C(C(C)c1ccccc1)N=C(Cc1c(Cl)cncc1Cl)C2.
What is the InChIKey of 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline?
The InChIKey is FTYOGXZKJYXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-15(16-6-4-3-5-7-16)24-20-12-19(29-2)9-8-17(20)10-18(28-24)11-21-22(25)13-27-14-23(21)26/h3-9,12-15,24H,10-11H2,1-2H3.
What are the key properties of 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline?
3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline has a molecular weight of 425.36 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-(1-phenylethyl)-1,4-dihydroisoquinoline is sourced from PubChem (CID 70160625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).