4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine

C125H121Cl5N28O — CID 160589165

IUPAC4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CNC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCCC1
InChIInChI=1S/2C26H26ClN5.C25H25ClN6.C24H21ClN6O.C24H23ClN6/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)31-25(28)26(32-24)30-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)31-25(28)26(32-24)30-14-12-17-7-4-5-8-17;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)29-11-14-32-12-4-5-13-32;25-18-11-17(10-16-7-4-8-27-20(16)18)22-21(15-5-2-1-3-6-15)30-23(26)24(31-22)29-13-14-9-19(32)28-12-14;25-19-15-18(14-17-8-4-9-27-20(17)19)22-21(16-6-2-1-3-7-16)29-23(26)24(30-22)28-10-13-31-11-5-12-31/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,31)(H,30,32);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,31)(H,30,32);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,30)(H,29,31);1-8,10-11,14H,9,12-13H2,(H2,26,30)(H,28,32)(H,29,31);1-4,6-9,14-15H,5,10-13H2,(H2,26,29)(H,28,30)
InChIKeyRCTXRJVAJDCKOS-UHFFFAOYSA-N
MW2208.80 g/mol
LogP27.13
Rot. Bonds28

About 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine

4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine (PubChem CID 160589165) has the molecular formula C125H121Cl5N28O and a molecular weight of 2208.80 g/mol. Its IUPAC name is 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine
PubChem CID160589165
Molecular FormulaC125H121Cl5N28O
Molecular Weight2208.80 g/mol
Exact Mass2204.87
IUPAC Name4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CNC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCCC1
InChIInChI=1S/2C26H26ClN5.C25H25ClN6.C24H21ClN6O.C24H23ClN6/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)31-25(28)26(32-24)30-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)31-25(28)26(32-24)30-14-12-17-7-4-5-8-17;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)29-11-14-32-12-4-5-13-32;25-18-11-17(10-16-7-4-8-27-20(16)18)22-21(15-5-2-1-3-6-15)30-23(26)24(31-22)29-13-14-9-19(32)28-12-14;25-19-15-18(14-17-8-4-9-27-20(17)19)22-21(16-6-2-1-3-7-16)29-23(26)24(30-22)28-10-13-31-11-5-12-31/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,31)(H,30,32);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,31)(H,30,32);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,30)(H,29,31);1-8,10-11,14H,9,12-13H2,(H2,26,30)(H,28,32)(H,29,31);1-4,6-9,14-15H,5,10-13H2,(H2,26,29)(H,28,30)
InChIKeyRCTXRJVAJDCKOS-UHFFFAOYSA-N
XLogP27.13
TPSA419.18 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.80
LogP ≤ 527.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine?
The IUPAC name of 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine (CID 160589165) is 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine?
The canonical SMILES for 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCC1CNC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NCCN1CCCC1.
What is the InChIKey of 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine?
The InChIKey is RCTXRJVAJDCKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26ClN5.C25H25ClN6.C24H21ClN6O.C24H23ClN6/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)31-25(28)26(32-24)30-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)31-25(28)26(32-24)30-14-12-17-7-4-5-8-17;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)29-11-14-32-12-4-5-13-32;25-18-11-17(10-16-7-4-8-27-20(16)18)22-21(15-5-2-1-3-6-15)30-23(26)24(31-22)29-13-14-9-19(32)28-12-14;25-19-15-18(14-17-8-4-9-27-20(17)19)22-21(16-6-2-1-3-7-16)29-23(26)24(30-22)28-10-13-31-11-5-12-31/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,31)(H,30,32);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,31)(H,30,32);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,30)(H,29,31);1-8,10-11,14H,9,12-13H2,(H2,26,30)(H,28,32)(H,29,31);1-4,6-9,14-15H,5,10-13H2,(H2,26,29)(H,28,30).
What are the key properties of 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine?
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine has a molecular weight of 2208.80 g/mol, XLogP of 27.13, 28 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 160589165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).