3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride

C28H25ClN2O — CID 44554306

IUPAC3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
SMILESCc1c(-c2cccnc2)n(Cc2cccc(OCc3ccccc3)c2)c2ccccc12.Cl
InChIInChI=1S/C28H24N2O.ClH/c1-21-26-14-5-6-15-27(26)30(28(21)24-12-8-16-29-18-24)19-23-11-7-13-25(17-23)31-20-22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3;1H
InChIKeyONNWZNBOLVUSHV-UHFFFAOYSA-N
MW440.97 g/mol
LogP7.06
Rot. Bonds6

About 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride

3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride (PubChem CID 44554306) has the molecular formula C28H25ClN2O and a molecular weight of 440.97 g/mol. Its IUPAC name is 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
PubChem CID44554306
Molecular FormulaC28H25ClN2O
Molecular Weight440.97 g/mol
Exact Mass440.17
IUPAC Name3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
SMILESCc1c(-c2cccnc2)n(Cc2cccc(OCc3ccccc3)c2)c2ccccc12.Cl
InChIInChI=1S/C28H24N2O.ClH/c1-21-26-14-5-6-15-27(26)30(28(21)24-12-8-16-29-18-24)19-23-11-7-13-25(17-23)31-20-22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3;1H
InChIKeyONNWZNBOLVUSHV-UHFFFAOYSA-N
XLogP7.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride?
The IUPAC name of 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride (CID 44554306) is 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride.
What is the SMILES notation for 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride?
The canonical SMILES for 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride is Cc1c(-c2cccnc2)n(Cc2cccc(OCc3ccccc3)c2)c2ccccc12.Cl.
What is the InChIKey of 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride?
The InChIKey is ONNWZNBOLVUSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O.ClH/c1-21-26-14-5-6-15-27(26)30(28(21)24-12-8-16-29-18-24)19-23-11-7-13-25(17-23)31-20-22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3;1H.
What are the key properties of 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride?
3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride has a molecular weight of 440.97 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride is sourced from PubChem (CID 44554306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).