5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine

C111H101Cl5N38 — CID 158799270

About 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine

5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine (PubChem CID 158799270) has the molecular formula C111H101Cl5N38 and a molecular weight of 2144.56 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine
• PubChem CID: 158799270
• Molecular Formula: C111H101Cl5N38
• Molecular Weight: 2144.56 g/mol
• Exact Mass: 2140.75
• IUPAC Name: 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine
• SMILES: CCN(CC)CCNc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(NCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Nc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Nc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
• InChI: InChI=1S/C23H27ClN8.C23H18ClN7.C22H19ClN8.C22H17ClN8.C21H20ClN7/c1-4-32(5-2)12-10-27-23-22(25)28-21(18-8-11-31(3)30-18)20(29-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)29-23(22(25)28-21)27-16-7-3-2-4-8-16;1-30-8-5-15(12-30)26-22-21(24)27-20(17-6-9-31(2)29-17)19(28-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-31-9-6-17(30-31)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)29-22(21(24)28-20)27-15-5-3-7-25-12-15;1-29-8-6-16(28-29)19-18(27-21(20(23)26-19)25-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H2,25,28)(H,27,29);2-13H,1H3,(H2,25,28)(H,27,29);3-12H,1-2H3,(H2,24,27)(H,26,28);2-12H,1H3,(H2,24,28)(H,27,29);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,26)(H,25,27)
• InChIKey: ITGQCADQDQZDKH-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 493.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.56
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine?

The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine (CID 158799270) is 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine.

What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine?

The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine is CCN(CC)CCNc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(NCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Nc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Nc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1.

What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine?

The InChIKey is ITGQCADQDQZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8.C23H18ClN7.C22H19ClN8.C22H17ClN8.C21H20ClN7/c1-4-32(5-2)12-10-27-23-22(25)28-21(18-8-11-31(3)30-18)20(29-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)29-23(22(25)28-21)27-16-7-3-2-4-8-16;1-30-8-5-15(12-30)26-22-21(24)27-20(17-6-9-31(2)29-17)19(28-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-31-9-6-17(30-31)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)29-22(21(24)28-20)27-15-5-3-7-25-12-15;1-29-8-6-16(28-29)19-18(27-21(20(23)26-19)25-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H2,25,28)(H,27,29);2-13H,1H3,(H2,25,28)(H,27,29);3-12H,1-2H3,(H2,24,27)(H,26,28);2-12H,1H3,(H2,24,28)(H,27,29);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,26)(H,25,27).

What are the key properties of 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine?

5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine has a molecular weight of 2144.56 g/mol, XLogP of 22.18, 25 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine is sourced from PubChem (CID 158799270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).