6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C30H30N2O3 — CID 23440923

IUPAC6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncccc1OC)C2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H30N2O3/c1-33-26-14-15-27-24(20-26)16-18-32(30-29(34-2)9-6-17-31-30)28(27)19-22-10-12-25(13-11-22)35-21-23-7-4-3-5-8-23/h3-15,17,20,28H,16,18-19,21H2,1-2H3
InChIKeyPBUDIHQMUHESSQ-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.02
Rot. Bonds8

About 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 23440923) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID23440923
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncccc1OC)C2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H30N2O3/c1-33-26-14-15-27-24(20-26)16-18-32(30-29(34-2)9-6-17-31-30)28(27)19-22-10-12-25(13-11-22)35-21-23-7-4-3-5-8-23/h3-15,17,20,28H,16,18-19,21H2,1-2H3
InChIKeyPBUDIHQMUHESSQ-UHFFFAOYSA-N
XLogP6.02
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 23440923) is 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ncccc1OC)C2Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PBUDIHQMUHESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-33-26-14-15-27-24(20-26)16-18-32(30-29(34-2)9-6-17-31-30)28(27)19-22-10-12-25(13-11-22)35-21-23-7-4-3-5-8-23/h3-15,17,20,28H,16,18-19,21H2,1-2H3.
What are the key properties of 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 466.58 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methoxy-2-pyridinyl)-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23440923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).