5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine

C20H19Cl2N3O2 — CID 24958040

IUPAC5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1
InChIInChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25)
InChIKeyPHIWHTOIEFIDDA-UHFFFAOYSA-N
MW404.30 g/mol
LogP6.01
Rot. Bonds5

About 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine

5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine (PubChem CID 24958040) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound Name5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine
PubChem CID24958040
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1
InChIInChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25)
InChIKeyPHIWHTOIEFIDDA-UHFFFAOYSA-N
XLogP6.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine?
The IUPAC name of 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine (CID 24958040) is 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine?
The canonical SMILES for 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine is COc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1.
What is the InChIKey of 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine?
The InChIKey is PHIWHTOIEFIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25).
What are the key properties of 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine?
5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine has a molecular weight of 404.30 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 24958040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).