5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine

C13H9Cl2N5O — CID 116785194

IUPAC5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H9Cl2N5O/c1-21-13-19-11(15)18-12(20-13)17-9-5-4-8(14)7-3-2-6-16-10(7)9/h2-6H,1H3,(H,17,18,19,20)
InChIKeyOXGZDQDBIQQFET-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.48
Rot. Bonds3

About 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine

5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine (PubChem CID 116785194) has the molecular formula C13H9Cl2N5O and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
PubChem CID116785194
Molecular FormulaC13H9Cl2N5O
Molecular Weight322.16 g/mol
Exact Mass321.02
IUPAC Name5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H9Cl2N5O/c1-21-13-19-11(15)18-12(20-13)17-9-5-4-8(14)7-3-2-6-16-10(7)9/h2-6H,1H3,(H,17,18,19,20)
InChIKeyOXGZDQDBIQQFET-UHFFFAOYSA-N
XLogP3.48
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
CID 62858993
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine
CID 81427697
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
CID 102286750
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine (CID 116785194) is 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine is COc1nc(Cl)nc(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine?
The InChIKey is OXGZDQDBIQQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O/c1-21-13-19-11(15)18-12(20-13)17-9-5-4-8(14)7-3-2-6-16-10(7)9/h2-6H,1H3,(H,17,18,19,20).
What are the key properties of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine?
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine has a molecular weight of 322.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine is sourced from PubChem (CID 116785194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).