quinolin-8-amine;quinoline-7-carbaldehyde

C19H15N3O — CID 87454365

IUPACquinolin-8-amine;quinoline-7-carbaldehyde
SMILESNc1cccc2cccnc12.O=Cc1ccc2cccnc2c1
InChIInChI=1S/C10H7NO.C9H8N2/c12-7-8-3-4-9-2-1-5-11-10(9)6-8;10-8-5-1-3-7-4-2-6-11-9(7)8/h1-7H;1-6H,10H2
InChIKeyPFBJUVWHMSCLHY-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.86
Rot. Bonds1

About quinolin-8-amine;quinoline-7-carbaldehyde

quinolin-8-amine;quinoline-7-carbaldehyde (PubChem CID 87454365) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is quinolin-8-amine;quinoline-7-carbaldehyde.

Molecular Properties

Compound Namequinolin-8-amine;quinoline-7-carbaldehyde
PubChem CID87454365
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Namequinolin-8-amine;quinoline-7-carbaldehyde
SMILESNc1cccc2cccnc12.O=Cc1ccc2cccnc2c1
InChIInChI=1S/C10H7NO.C9H8N2/c12-7-8-3-4-9-2-1-5-11-10(9)6-8;10-8-5-1-3-7-4-2-6-11-9(7)8/h1-7H;1-6H,10H2
InChIKeyPFBJUVWHMSCLHY-UHFFFAOYSA-N
XLogP3.86
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-amine;quinoline-7-carbaldehyde?
The IUPAC name of quinolin-8-amine;quinoline-7-carbaldehyde (CID 87454365) is quinolin-8-amine;quinoline-7-carbaldehyde.
What is the SMILES notation for quinolin-8-amine;quinoline-7-carbaldehyde?
The canonical SMILES for quinolin-8-amine;quinoline-7-carbaldehyde is Nc1cccc2cccnc12.O=Cc1ccc2cccnc2c1.
What is the InChIKey of quinolin-8-amine;quinoline-7-carbaldehyde?
The InChIKey is PFBJUVWHMSCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO.C9H8N2/c12-7-8-3-4-9-2-1-5-11-10(9)6-8;10-8-5-1-3-7-4-2-6-11-9(7)8/h1-7H;1-6H,10H2.
What are the key properties of quinolin-8-amine;quinoline-7-carbaldehyde?
quinolin-8-amine;quinoline-7-carbaldehyde has a molecular weight of 301.35 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-amine;quinoline-7-carbaldehyde is sourced from PubChem (CID 87454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).