6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one

C27H30N4O3 — CID 10527868

IUPAC6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-34-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(32)22-19-21(28)11-12-23(22)27(31,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18,28H2,1H3
InChIKeyRZFFOYJWMMMINT-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.75
Rot. Bonds6

About 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one

6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one (PubChem CID 10527868) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one.

Molecular Properties

Compound Name6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one
PubChem CID10527868
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-34-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(32)22-19-21(28)11-12-23(22)27(31,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18,28H2,1H3
InChIKeyRZFFOYJWMMMINT-UHFFFAOYSA-N
XLogP2.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one?
The IUPAC name of 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one (CID 10527868) is 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one.
What is the SMILES notation for 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one?
The canonical SMILES for 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one is COc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1.
What is the InChIKey of 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one?
The InChIKey is RZFFOYJWMMMINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-34-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(32)22-19-21(28)11-12-23(22)27(31,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18,28H2,1H3.
What are the key properties of 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one?
6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one has a molecular weight of 458.56 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one is sourced from PubChem (CID 10527868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).