2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol

C25H20N2O — CID 166627809

IUPAC2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H20N2O/c26-18-11-13-19-17(14-18)10-12-20-22(16-6-2-1-3-7-16)15-23(27-25(19)20)21-8-4-5-9-24(21)28/h1-9,11,13-15,28H,10,12,26H2
InChIKeyPDOAIZSRVWGHJO-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.47
Rot. Bonds2

About 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol

2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol (PubChem CID 166627809) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol.

Molecular Properties

Compound Name2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol
PubChem CID166627809
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H20N2O/c26-18-11-13-19-17(14-18)10-12-20-22(16-6-2-1-3-7-16)15-23(27-25(19)20)21-8-4-5-9-24(21)28/h1-9,11,13-15,28H,10,12,26H2
InChIKeyPDOAIZSRVWGHJO-UHFFFAOYSA-N
XLogP5.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol?
The IUPAC name of 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol (CID 166627809) is 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol.
What is the SMILES notation for 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol?
The canonical SMILES for 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol is Nc1ccc2c(c1)CCc1c(-c3ccccc3)cc(-c3ccccc3O)nc1-2.
What is the InChIKey of 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol?
The InChIKey is PDOAIZSRVWGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c26-18-11-13-19-17(14-18)10-12-20-22(16-6-2-1-3-7-16)15-23(27-25(19)20)21-8-4-5-9-24(21)28/h1-9,11,13-15,28H,10,12,26H2.
What are the key properties of 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol?
2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol has a molecular weight of 364.45 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol is sourced from PubChem (CID 166627809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).