5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid

C19H13N3O2 — CID 137477260

IUPAC5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid
SMILESNc1ccc(-c2cc3cc(C(=O)O)ccc3c3cnccc23)cn1
InChIInChI=1S/C19H13N3O2/c20-18-4-2-12(9-22-18)16-8-13-7-11(19(23)24)1-3-14(13)17-10-21-6-5-15(16)17/h1-10H,(H2,20,22)(H,23,24)
InChIKeyQUZDLEPWIFVSJR-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.73
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid

5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid (PubChem CID 137477260) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid
PubChem CID137477260
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid
SMILESNc1ccc(-c2cc3cc(C(=O)O)ccc3c3cnccc23)cn1
InChIInChI=1S/C19H13N3O2/c20-18-4-2-12(9-22-18)16-8-13-7-11(19(23)24)1-3-14(13)17-10-21-6-5-15(16)17/h1-10H,(H2,20,22)(H,23,24)
InChIKeyQUZDLEPWIFVSJR-UHFFFAOYSA-N
XLogP3.73
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid?
The IUPAC name of 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid (CID 137477260) is 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid?
The canonical SMILES for 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid is Nc1ccc(-c2cc3cc(C(=O)O)ccc3c3cnccc23)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid?
The InChIKey is QUZDLEPWIFVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-18-4-2-12(9-22-18)16-8-13-7-11(19(23)24)1-3-14(13)17-10-21-6-5-15(16)17/h1-10H,(H2,20,22)(H,23,24).
What are the key properties of 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid?
5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)benzo[h]isoquinoline-8-carboxylic acid is sourced from PubChem (CID 137477260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).