5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine

C24H17ClN6 — CID 137431844

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Nc1cccnc1
InChIInChI=1S/C24H17ClN6/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)30-23(26)24(31-22)29-18-9-5-10-27-14-18/h1-14H,(H2,26,30)(H,29,31)
InChIKeyHSIDZKRYPQVSLX-UHFFFAOYSA-N
MW424.90 g/mol
LogP5.73
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine (PubChem CID 137431844) has the molecular formula C24H17ClN6 and a molecular weight of 424.90 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
PubChem CID137431844
Molecular FormulaC24H17ClN6
Molecular Weight424.90 g/mol
Exact Mass424.12
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Nc1cccnc1
InChIInChI=1S/C24H17ClN6/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)30-23(26)24(31-22)29-18-9-5-10-27-14-18/h1-14H,(H2,26,30)(H,29,31)
InChIKeyHSIDZKRYPQVSLX-UHFFFAOYSA-N
XLogP5.73
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.90
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
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
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 137431848
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine (CID 137431844) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Nc1cccnc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine?
The InChIKey is HSIDZKRYPQVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)30-23(26)24(31-22)29-18-9-5-10-27-14-18/h1-14H,(H2,26,30)(H,29,31).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine has a molecular weight of 424.90 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine is sourced from PubChem (CID 137431844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).