5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine

C22H15ClN4 — CID 137431684

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
SMILESC#CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H15ClN4/c1-2-7-18-22(24)27-20(14-8-4-3-5-9-14)21(26-18)16-12-15-10-6-11-25-19(15)17(23)13-16/h1,3-6,8-13H,7H2,(H2,24,27)
InChIKeyPBUSGBVSSGWMET-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.77
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine (PubChem CID 137431684) has the molecular formula C22H15ClN4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
PubChem CID137431684
Molecular FormulaC22H15ClN4
Molecular Weight370.84 g/mol
Exact Mass370.10
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
SMILESC#CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H15ClN4/c1-2-7-18-22(24)27-20(14-8-4-3-5-9-14)21(26-18)16-12-15-10-6-11-25-19(15)17(23)13-16/h1,3-6,8-13H,7H2,(H2,24,27)
InChIKeyPBUSGBVSSGWMET-UHFFFAOYSA-N
XLogP4.77
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
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
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol
CID 154658320
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
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
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine (CID 137431684) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine is C#CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine?
The InChIKey is PBUSGBVSSGWMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4/c1-2-7-18-22(24)27-20(14-8-4-3-5-9-14)21(26-18)16-12-15-10-6-11-25-19(15)17(23)13-16/h1,3-6,8-13H,7H2,(H2,24,27).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine has a molecular weight of 370.84 g/mol, XLogP of 4.77, 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)-6-phenyl-3-prop-2-ynylpyrazin-2-amine is sourced from PubChem (CID 137431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).