4,7-diamino-1H-benzo[h]quinolin-10-one

C13H11N3O — CID 175647271

IUPAC4,7-diamino-1H-benzo[h]quinolin-10-one
SMILESNc1cc[nH]c2c1ccc1c(N)ccc(=O)c12
InChIInChI=1S/C13H11N3O/c14-9-3-4-11(17)12-7(9)1-2-8-10(15)5-6-16-13(8)12/h1-6,16H,14-15H2
InChIKeyKDVVMUPRJGNAEO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.85
Rot. Bonds

About 4,7-diamino-1H-benzo[h]quinolin-10-one

4,7-diamino-1H-benzo[h]quinolin-10-one (PubChem CID 175647271) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,7-diamino-1H-benzo[h]quinolin-10-one.

Molecular Properties

Compound Name4,7-diamino-1H-benzo[h]quinolin-10-one
PubChem CID175647271
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4,7-diamino-1H-benzo[h]quinolin-10-one
SMILESNc1cc[nH]c2c1ccc1c(N)ccc(=O)c12
InChIInChI=1S/C13H11N3O/c14-9-3-4-11(17)12-7(9)1-2-8-10(15)5-6-16-13(8)12/h1-6,16H,14-15H2
InChIKeyKDVVMUPRJGNAEO-UHFFFAOYSA-N
XLogP1.85
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-diamino-1H-benzo[h]quinolin-10-one?
The IUPAC name of 4,7-diamino-1H-benzo[h]quinolin-10-one (CID 175647271) is 4,7-diamino-1H-benzo[h]quinolin-10-one.
What is the SMILES notation for 4,7-diamino-1H-benzo[h]quinolin-10-one?
The canonical SMILES for 4,7-diamino-1H-benzo[h]quinolin-10-one is Nc1cc[nH]c2c1ccc1c(N)ccc(=O)c12.
What is the InChIKey of 4,7-diamino-1H-benzo[h]quinolin-10-one?
The InChIKey is KDVVMUPRJGNAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-9-3-4-11(17)12-7(9)1-2-8-10(15)5-6-16-13(8)12/h1-6,16H,14-15H2.
What are the key properties of 4,7-diamino-1H-benzo[h]quinolin-10-one?
4,7-diamino-1H-benzo[h]quinolin-10-one has a molecular weight of 225.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diamino-1H-benzo[h]quinolin-10-one is sourced from PubChem (CID 175647271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).