pyrimido[4,5-b]quinolin-2-amine

C11H8N4 — CID 10987174

IUPACpyrimido[4,5-b]quinolin-2-amine
SMILESNc1ncc2cc3ccccc3nc2n1
InChIInChI=1S/C11H8N4/c12-11-13-6-8-5-7-3-1-2-4-9(7)14-10(8)15-11/h1-6H,(H2,12,13,14,15)
InChIKeyIYGDHZNUZSJLLJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.76
Rot. Bonds

About pyrimido[4,5-b]quinolin-2-amine

pyrimido[4,5-b]quinolin-2-amine (PubChem CID 10987174) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is pyrimido[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Namepyrimido[4,5-b]quinolin-2-amine
PubChem CID10987174
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Namepyrimido[4,5-b]quinolin-2-amine
SMILESNc1ncc2cc3ccccc3nc2n1
InChIInChI=1S/C11H8N4/c12-11-13-6-8-5-7-3-1-2-4-9(7)14-10(8)15-11/h1-6H,(H2,12,13,14,15)
InChIKeyIYGDHZNUZSJLLJ-UHFFFAOYSA-N
XLogP1.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrimido[4,5-b]quinolin-2-amine?
The IUPAC name of pyrimido[4,5-b]quinolin-2-amine (CID 10987174) is pyrimido[4,5-b]quinolin-2-amine.
What is the SMILES notation for pyrimido[4,5-b]quinolin-2-amine?
The canonical SMILES for pyrimido[4,5-b]quinolin-2-amine is Nc1ncc2cc3ccccc3nc2n1.
What is the InChIKey of pyrimido[4,5-b]quinolin-2-amine?
The InChIKey is IYGDHZNUZSJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-11-13-6-8-5-7-3-1-2-4-9(7)14-10(8)15-11/h1-6H,(H2,12,13,14,15).
What are the key properties of pyrimido[4,5-b]quinolin-2-amine?
pyrimido[4,5-b]quinolin-2-amine has a molecular weight of 196.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[4,5-b]quinolin-2-amine is sourced from PubChem (CID 10987174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).