4,7-diaminoquinoline-3-carbohydrazide

C10H11N5O — CID 50877665

IUPAC4,7-diaminoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cnc2cc(N)ccc2c1N
InChIInChI=1S/C10H11N5O/c11-5-1-2-6-8(3-5)14-4-7(9(6)12)10(16)15-13/h1-4H,11,13H2,(H2,12,14)(H,15,16)
InChIKeyFORNJSHKECEXIS-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.00
Rot. Bonds1

About 4,7-diaminoquinoline-3-carbohydrazide

4,7-diaminoquinoline-3-carbohydrazide (PubChem CID 50877665) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4,7-diaminoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name4,7-diaminoquinoline-3-carbohydrazide
PubChem CID50877665
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4,7-diaminoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cnc2cc(N)ccc2c1N
InChIInChI=1S/C10H11N5O/c11-5-1-2-6-8(3-5)14-4-7(9(6)12)10(16)15-13/h1-4H,11,13H2,(H2,12,14)(H,15,16)
InChIKeyFORNJSHKECEXIS-UHFFFAOYSA-N
XLogP0.00
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-diaminoquinoline-3-carbohydrazide?
The IUPAC name of 4,7-diaminoquinoline-3-carbohydrazide (CID 50877665) is 4,7-diaminoquinoline-3-carbohydrazide.
What is the SMILES notation for 4,7-diaminoquinoline-3-carbohydrazide?
The canonical SMILES for 4,7-diaminoquinoline-3-carbohydrazide is NNC(=O)c1cnc2cc(N)ccc2c1N.
What is the InChIKey of 4,7-diaminoquinoline-3-carbohydrazide?
The InChIKey is FORNJSHKECEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-5-1-2-6-8(3-5)14-4-7(9(6)12)10(16)15-13/h1-4H,11,13H2,(H2,12,14)(H,15,16).
What are the key properties of 4,7-diaminoquinoline-3-carbohydrazide?
4,7-diaminoquinoline-3-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.00, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diaminoquinoline-3-carbohydrazide is sourced from PubChem (CID 50877665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).