9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine

C26H23N3O2 — CID 69170003

IUPAC9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine
SMILESCOc1c(OCc2ccccc2)ccc2c(N)c3c(cc12)CN(c1cccnc1)C=C3
InChIInChI=1S/C26H23N3O2/c1-30-26-23-14-19-16-29(20-8-5-12-28-15-20)13-11-21(19)25(27)22(23)9-10-24(26)31-17-18-6-3-2-4-7-18/h2-15H,16-17,27H2,1H3
InChIKeyKORRXRRJQXUESX-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.40
Rot. Bonds5

About 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine

9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine (PubChem CID 69170003) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine.

Molecular Properties

Compound Name9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine
PubChem CID69170003
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine
SMILESCOc1c(OCc2ccccc2)ccc2c(N)c3c(cc12)CN(c1cccnc1)C=C3
InChIInChI=1S/C26H23N3O2/c1-30-26-23-14-19-16-29(20-8-5-12-28-15-20)13-11-21(19)25(27)22(23)9-10-24(26)31-17-18-6-3-2-4-7-18/h2-15H,16-17,27H2,1H3
InChIKeyKORRXRRJQXUESX-UHFFFAOYSA-N
XLogP5.40
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
6-(4-fluorophenyl)-4-phenylmethoxy-5H-1,6-naphthyridin-2-amine
CID 69177648
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-methoxy-4-phenylmethoxyaniline
CID 27226
6-phenylmethoxyquinolin-5-amine
CID 43809775
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine?
The IUPAC name of 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine (CID 69170003) is 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine.
What is the SMILES notation for 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine?
The canonical SMILES for 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine is COc1c(OCc2ccccc2)ccc2c(N)c3c(cc12)CN(c1cccnc1)C=C3.
What is the InChIKey of 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine?
The InChIKey is KORRXRRJQXUESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-30-26-23-14-19-16-29(20-8-5-12-28-15-20)13-11-21(19)25(27)22(23)9-10-24(26)31-17-18-6-3-2-4-7-18/h2-15H,16-17,27H2,1H3.
What are the key properties of 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine?
9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine has a molecular weight of 409.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-8-phenylmethoxy-2-pyridin-3-yl-1H-benzo[g]isoquinolin-5-amine is sourced from PubChem (CID 69170003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).