5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol

C18H14BrN3O — CID 152795280

IUPAC5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol
SMILES[H]/N=C(/c1cc(Br)c2cccnc2c1O)N1Cc2ccccc2C1
InChIInChI=1S/C18H14BrN3O/c19-15-8-14(17(23)16-13(15)6-3-7-21-16)18(20)22-9-11-4-1-2-5-12(11)10-22/h1-8,20,23H,9-10H2/b20-18-
InChIKeySLLSLBBRDGMOBO-ZZEZOPTASA-N
MW368.23 g/mol
LogP4.04
Rot. Bonds1

About 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol

5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol (PubChem CID 152795280) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol
PubChem CID152795280
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol
SMILES[H]/N=C(/c1cc(Br)c2cccnc2c1O)N1Cc2ccccc2C1
InChIInChI=1S/C18H14BrN3O/c19-15-8-14(17(23)16-13(15)6-3-7-21-16)18(20)22-9-11-4-1-2-5-12(11)10-22/h1-8,20,23H,9-10H2/b20-18-
InChIKeySLLSLBBRDGMOBO-ZZEZOPTASA-N
XLogP4.04
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol?
The IUPAC name of 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol (CID 152795280) is 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol?
The canonical SMILES for 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol is [H]/N=C(/c1cc(Br)c2cccnc2c1O)N1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol?
The InChIKey is SLLSLBBRDGMOBO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-15-8-14(17(23)16-13(15)6-3-7-21-16)18(20)22-9-11-4-1-2-5-12(11)10-22/h1-8,20,23H,9-10H2/b20-18-.
What are the key properties of 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol?
5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol has a molecular weight of 368.23 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol is sourced from PubChem (CID 152795280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).