3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C18H14BrClN6 — CID 137430612

IUPAC3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C18H14BrClN6/c1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-8H,1-2H3,(H2,21,24)
InChIKeyGOHUBXNZICDOTI-UHFFFAOYSA-N
MW429.71 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430612) has the molecular formula C18H14BrClN6 and a molecular weight of 429.71 g/mol. Its IUPAC name is 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430612
Molecular FormulaC18H14BrClN6
Molecular Weight429.71 g/mol
Exact Mass428.02
IUPAC Name3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C18H14BrClN6/c1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-8H,1-2H3,(H2,21,24)
InChIKeyGOHUBXNZICDOTI-UHFFFAOYSA-N
XLogP4.40
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430612) is 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cc1ccnc2c(Cl)cc(-c3nc(Br)c(N)nc3-c3ccn(C)n3)cc12.
What is the InChIKey of 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is GOHUBXNZICDOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN6/c1-9-3-5-22-15-11(9)7-10(8-12(15)20)14-16(13-4-6-26(2)25-13)24-18(21)17(19)23-14/h3-8H,1-2H3,(H2,21,24).
What are the key properties of 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 429.71 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).