5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine

C13H7Cl3N4 — CID 116785190

IUPAC5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
SMILESClc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H7Cl3N4/c14-8-3-4-10(11-7(8)2-1-5-17-11)19-12-9(15)6-18-13(16)20-12/h1-6H,(H,18,19,20)
InChIKeyOQEXBQQVJFUUKP-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.73
Rot. Bonds2

About 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine

5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine (PubChem CID 116785190) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
PubChem CID116785190
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
SMILESClc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H7Cl3N4/c14-8-3-4-10(11-7(8)2-1-5-17-11)19-12-9(15)6-18-13(16)20-12/h1-6H,(H,18,19,20)
InChIKeyOQEXBQQVJFUUKP-UHFFFAOYSA-N
XLogP4.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
CID 116785194
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
CID 168806412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine (CID 116785190) is 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine is Clc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine?
The InChIKey is OQEXBQQVJFUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c14-8-3-4-10(11-7(8)2-1-5-17-11)19-12-9(15)6-18-13(16)20-12/h1-6H,(H,18,19,20).
What are the key properties of 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine?
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine has a molecular weight of 325.59 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine is sourced from PubChem (CID 116785190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).