5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine

C25H17ClN4 — CID 137431685

IUPAC5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1-c1ccccc1
InChIInChI=1S/C25H17ClN4/c26-20-15-19(14-18-12-7-13-28-21(18)20)23-22(16-8-3-1-4-9-16)30-25(27)24(29-23)17-10-5-2-6-11-17/h1-15H,(H2,27,30)
InChIKeyOIMICFZKEGNFLN-UHFFFAOYSA-N
MW408.89 g/mol
LogP6.26
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine (PubChem CID 137431685) has the molecular formula C25H17ClN4 and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
PubChem CID137431685
Molecular FormulaC25H17ClN4
Molecular Weight408.89 g/mol
Exact Mass408.11
IUPAC Name5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1-c1ccccc1
InChIInChI=1S/C25H17ClN4/c26-20-15-19(14-18-12-7-13-28-21(18)20)23-22(16-8-3-1-4-9-16)30-25(27)24(29-23)17-10-5-2-6-11-17/h1-15H,(H2,27,30)
InChIKeyOIMICFZKEGNFLN-UHFFFAOYSA-N
XLogP6.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine (CID 137431685) is 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1-c1ccccc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine?
The InChIKey is OIMICFZKEGNFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4/c26-20-15-19(14-18-12-7-13-28-21(18)20)23-22(16-8-3-1-4-9-16)30-25(27)24(29-23)17-10-5-2-6-11-17/h1-15H,(H2,27,30).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine has a molecular weight of 408.89 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine is sourced from PubChem (CID 137431685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).