3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide

C26H23ClN6O2 — CID 137431697

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCCN1CCCC1=O
InChIInChI=1S/C26H23ClN6O2/c27-19-15-18(14-17-8-4-10-29-21(17)19)23-22(16-6-2-1-3-7-16)32-25(28)24(31-23)26(35)30-11-13-33-12-5-9-20(33)34/h1-4,6-8,10,14-15H,5,9,11-13H2,(H2,28,32)(H,30,35)
InChIKeyUUXSCWWBVGAIAB-UHFFFAOYSA-N
MW486.96 g/mol
LogP3.95
Rot. Bonds6

About 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide (PubChem CID 137431697) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
PubChem CID137431697
Molecular FormulaC26H23ClN6O2
Molecular Weight486.96 g/mol
Exact Mass486.16
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCCN1CCCC1=O
InChIInChI=1S/C26H23ClN6O2/c27-19-15-18(14-17-8-4-10-29-21(17)19)23-22(16-6-2-1-3-7-16)32-25(28)24(31-23)26(35)30-11-13-33-12-5-9-20(33)34/h1-4,6-8,10,14-15H,5,9,11-13H2,(H2,28,32)(H,30,35)
InChIKeyUUXSCWWBVGAIAB-UHFFFAOYSA-N
XLogP3.95
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 137431698
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-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide (CID 137431697) is 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCCN1CCCC1=O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The InChIKey is UUXSCWWBVGAIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c27-19-15-18(14-17-8-4-10-29-21(17)19)23-22(16-6-2-1-3-7-16)32-25(28)24(31-23)26(35)30-11-13-33-12-5-9-20(33)34/h1-4,6-8,10,14-15H,5,9,11-13H2,(H2,28,32)(H,30,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide has a molecular weight of 486.96 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).