1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol

C15H10ClFN2O — CID 106537424

IUPAC1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C15H10ClFN2O/c16-13-7-10(2-4-14(13)17)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,(H,18,19)
InChIKeyQNPNANZZHZRSEY-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.48
Rot. Bonds2

About 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol

1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol (PubChem CID 106537424) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol
PubChem CID106537424
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C15H10ClFN2O/c16-13-7-10(2-4-14(13)17)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,(H,18,19)
InChIKeyQNPNANZZHZRSEY-UHFFFAOYSA-N
XLogP4.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol?
The IUPAC name of 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol (CID 106537424) is 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol.
What is the SMILES notation for 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol?
The canonical SMILES for 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol is Oc1ccc2ccnc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol?
The InChIKey is QNPNANZZHZRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-13-7-10(2-4-14(13)17)19-15-12-8-11(20)3-1-9(12)5-6-18-15/h1-8,20H,(H,18,19).
What are the key properties of 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol?
1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol has a molecular weight of 288.71 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluoroanilino)isoquinolin-7-ol is sourced from PubChem (CID 106537424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).