3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide

C26H24ClN5O — CID 137430775

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C26H24ClN5O/c27-20-15-18(14-17-10-7-13-29-21(17)20)23-22(16-8-3-1-4-9-16)32-25(28)24(31-23)26(33)30-19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2,(H2,28,32)(H,30,33)
InChIKeyARYJRJNYYBIJOC-UHFFFAOYSA-N
MW457.97 g/mol
LogP5.66
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide (PubChem CID 137430775) has the molecular formula C26H24ClN5O and a molecular weight of 457.97 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
PubChem CID137430775
Molecular FormulaC26H24ClN5O
Molecular Weight457.97 g/mol
Exact Mass457.17
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C26H24ClN5O/c27-20-15-18(14-17-10-7-13-29-21(17)20)23-22(16-8-3-1-4-9-16)32-25(28)24(31-23)26(33)30-19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2,(H2,28,32)(H,30,33)
InChIKeyARYJRJNYYBIJOC-UHFFFAOYSA-N
XLogP5.66
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.97
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
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
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
CID 137430801
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide (CID 137430775) is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The InChIKey is ARYJRJNYYBIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O/c27-20-15-18(14-17-10-7-13-29-21(17)20)23-22(16-8-3-1-4-9-16)32-25(28)24(31-23)26(33)30-19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2,(H2,28,32)(H,30,33).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide has a molecular weight of 457.97 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).