6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine

C12H9ClN6O — CID 167801777

IUPAC6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Oc2cnc3ccc(Cl)cc3c2)n1
InChIInChI=1S/C12H9ClN6O/c13-7-1-2-9-6(3-7)4-8(5-16-9)20-12-18-10(14)17-11(15)19-12/h1-5H,(H4,14,15,17,18,19)
InChIKeyFPPAIZVOLMBDCE-UHFFFAOYSA-N
MW288.70 g/mol
LogP2.03
Rot. Bonds2

About 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine

6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 167801777) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID167801777
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Oc2cnc3ccc(Cl)cc3c2)n1
InChIInChI=1S/C12H9ClN6O/c13-7-1-2-9-6(3-7)4-8(5-16-9)20-12-18-10(14)17-11(15)19-12/h1-5H,(H4,14,15,17,18,19)
InChIKeyFPPAIZVOLMBDCE-UHFFFAOYSA-N
XLogP2.03
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
3-(4-fluorophenoxy)quinolin-6-amine
CID 174766399
6-chloro-3-prop-1-enylquinoline
CID 174515069
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
6-chloroquinoline-3-carboxylic acid
CID 14241492
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
CID 123802398
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387242
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine (CID 167801777) is 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Oc2cnc3ccc(Cl)cc3c2)n1.
What is the InChIKey of 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FPPAIZVOLMBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O/c13-7-1-2-9-6(3-7)4-8(5-16-9)20-12-18-10(14)17-11(15)19-12/h1-5H,(H4,14,15,17,18,19).
What are the key properties of 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 288.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloroquinolin-3-yl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167801777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).