quinoline-2,6-diamine

C9H9N3 — CID 22018948

IUPACquinoline-2,6-diamine
SMILESNc1ccc2nc(N)ccc2c1
InChIInChI=1S/C9H9N3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKeyWECFWBJFIOOXPR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.40
Rot. Bonds

About quinoline-2,6-diamine

quinoline-2,6-diamine (PubChem CID 22018948) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is quinoline-2,6-diamine.

Molecular Properties

Compound Namequinoline-2,6-diamine
PubChem CID22018948
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Namequinoline-2,6-diamine
SMILESNc1ccc2nc(N)ccc2c1
InChIInChI=1S/C9H9N3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKeyWECFWBJFIOOXPR-UHFFFAOYSA-N
XLogP1.40
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;2-methylpropane;quinoline-2,6-diamine
CID 143375895
(6-aminoquinolin-2-yl)methanol
CID 22763701
6-ethylquinolin-2-amine
CID 58257790
2-propylquinolin-6-amine
CID 130537701
2-chloroquinolin-6-amine;2-chloroquinoline-6-sulfonyl chloride
CID 162106711
quinolin-2-amine;zirconium
CID 175251209
CID 158897445
CID 158897445
acridine;acridine-3,6-diamine
CID 21276006
2-amino-N'-methylquinoline-6-carboximidamide
CID 139555651
2-(2-bromophenoxy)quinolin-6-amine
CID 43451089
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
CID 43383019

Frequently Asked Questions

What is the IUPAC name of quinoline-2,6-diamine?
The IUPAC name of quinoline-2,6-diamine (CID 22018948) is quinoline-2,6-diamine.
What is the SMILES notation for quinoline-2,6-diamine?
The canonical SMILES for quinoline-2,6-diamine is Nc1ccc2nc(N)ccc2c1.
What is the InChIKey of quinoline-2,6-diamine?
The InChIKey is WECFWBJFIOOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2,(H2,11,12).
What are the key properties of quinoline-2,6-diamine?
quinoline-2,6-diamine has a molecular weight of 159.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-2,6-diamine is sourced from PubChem (CID 22018948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).