5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine

C20H14ClFN4 — CID 137431535

IUPAC5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H14ClFN4/c1-11-6-7-24-20-15(11)8-13(9-16(20)21)18-19(26-17(23)10-25-18)12-2-4-14(22)5-3-12/h2-10H,1H3,(H2,23,26)
InChIKeyBDAPTLXWJRUMQE-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.04
Rot. Bonds2

About 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine

5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine (PubChem CID 137431535) has the molecular formula C20H14ClFN4 and a molecular weight of 364.81 g/mol. Its IUPAC name is 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
PubChem CID137431535
Molecular FormulaC20H14ClFN4
Molecular Weight364.81 g/mol
Exact Mass364.09
IUPAC Name5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H14ClFN4/c1-11-6-7-24-20-15(11)8-13(9-16(20)21)18-19(26-17(23)10-25-18)12-2-4-14(22)5-3-12/h2-10H,1H3,(H2,23,26)
InChIKeyBDAPTLXWJRUMQE-UHFFFAOYSA-N
XLogP5.04
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine (CID 137431535) is 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine is Cc1ccnc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The InChIKey is BDAPTLXWJRUMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4/c1-11-6-7-24-20-15(11)8-13(9-16(20)21)18-19(26-17(23)10-25-18)12-2-4-14(22)5-3-12/h2-10H,1H3,(H2,23,26).
What are the key properties of 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine has a molecular weight of 364.81 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 137431535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).