1-(5-amino-2-chloroanilino)isoquinolin-7-ol

C15H12ClN3O — CID 106540390

IUPAC1-(5-amino-2-chloroanilino)isoquinolin-7-ol
SMILESNc1ccc(Cl)c(Nc2nccc3ccc(O)cc23)c1
InChIInChI=1S/C15H12ClN3O/c16-13-4-2-10(17)7-14(13)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,17H2,(H,18,19)
InChIKeyIIVGJEGSDCHGOW-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.92
Rot. Bonds2

About 1-(5-amino-2-chloroanilino)isoquinolin-7-ol

1-(5-amino-2-chloroanilino)isoquinolin-7-ol (PubChem CID 106540390) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(5-amino-2-chloroanilino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(5-amino-2-chloroanilino)isoquinolin-7-ol
PubChem CID106540390
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-(5-amino-2-chloroanilino)isoquinolin-7-ol
SMILESNc1ccc(Cl)c(Nc2nccc3ccc(O)cc23)c1
InChIInChI=1S/C15H12ClN3O/c16-13-4-2-10(17)7-14(13)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,17H2,(H,18,19)
InChIKeyIIVGJEGSDCHGOW-UHFFFAOYSA-N
XLogP3.92
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloroanilino)isoquinolin-7-ol?
The IUPAC name of 1-(5-amino-2-chloroanilino)isoquinolin-7-ol (CID 106540390) is 1-(5-amino-2-chloroanilino)isoquinolin-7-ol.
What is the SMILES notation for 1-(5-amino-2-chloroanilino)isoquinolin-7-ol?
The canonical SMILES for 1-(5-amino-2-chloroanilino)isoquinolin-7-ol is Nc1ccc(Cl)c(Nc2nccc3ccc(O)cc23)c1.
What is the InChIKey of 1-(5-amino-2-chloroanilino)isoquinolin-7-ol?
The InChIKey is IIVGJEGSDCHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-4-2-10(17)7-14(13)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,17H2,(H,18,19).
What are the key properties of 1-(5-amino-2-chloroanilino)isoquinolin-7-ol?
1-(5-amino-2-chloroanilino)isoquinolin-7-ol has a molecular weight of 285.73 g/mol, XLogP of 3.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloroanilino)isoquinolin-7-ol is sourced from PubChem (CID 106540390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).