4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one

C16H10N4O — CID 69460628

IUPAC4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one
SMILESNc1cc2c(c3c1=NC(c1ccccc1)=N3)C(=O)N=CC=2
InChIInChI=1S/C16H10N4O/c17-11-8-10-6-7-18-16(21)12(10)14-13(11)19-15(20-14)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyHRIFACSIHFTPNO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.99
Rot. Bonds1

About 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one

4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one (PubChem CID 69460628) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one.

Molecular Properties

Compound Name4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one
PubChem CID69460628
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one
SMILESNc1cc2c(c3c1=NC(c1ccccc1)=N3)C(=O)N=CC=2
InChIInChI=1S/C16H10N4O/c17-11-8-10-6-7-18-16(21)12(10)14-13(11)19-15(20-14)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyHRIFACSIHFTPNO-UHFFFAOYSA-N
XLogP0.99
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one?
The IUPAC name of 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one (CID 69460628) is 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one.
What is the SMILES notation for 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one?
The canonical SMILES for 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one is Nc1cc2c(c3c1=NC(c1ccccc1)=N3)C(=O)N=CC=2.
What is the InChIKey of 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one?
The InChIKey is HRIFACSIHFTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c17-11-8-10-6-7-18-16(21)12(10)14-13(11)19-15(20-14)9-4-2-1-3-5-9/h1-8H,17H2.
What are the key properties of 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one?
4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one has a molecular weight of 274.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylimidazo[4,5-h]isoquinolin-9-one is sourced from PubChem (CID 69460628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).