5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine

C110H100Cl5N33O5 — CID 160564014

IUPAC5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine
SMILESCCN(CC)CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C23H26ClN7O.C22H18ClN7O.C22H16ClN7O.C22H21ClN6O.C21H19ClN6O/c1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-29-9-7-17(28-29)20-19(15-10-14-6-3-8-25-18(14)16(23)11-15)27-22(21(24)26-20)30-12-13-4-2-5-13;1-28-8-6-16(27-28)19-18(26-21(20(23)25-19)29-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27);3-12H,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3,6-11,13H,2,4-5,12H2,1H3,(H2,24,26);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,25)
InChIKeyQZRNHVCYSHGVDN-UHFFFAOYSA-N
MW2141.50 g/mol
LogP21.65
Rot. Bonds26

About 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine (PubChem CID 160564014) has the molecular formula C110H100Cl5N33O5 and a molecular weight of 2141.50 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine
PubChem CID160564014
Molecular FormulaC110H100Cl5N33O5
Molecular Weight2141.50 g/mol
Exact Mass2137.70
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine
SMILESCCN(CC)CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C23H26ClN7O.C22H18ClN7O.C22H16ClN7O.C22H21ClN6O.C21H19ClN6O/c1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-29-9-7-17(28-29)20-19(15-10-14-6-3-8-25-18(14)16(23)11-15)27-22(21(24)26-20)30-12-13-4-2-5-13;1-28-8-6-16(27-28)19-18(26-21(20(23)25-19)29-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27);3-12H,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3,6-11,13H,2,4-5,12H2,1H3,(H2,24,26);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,25)
InChIKeyQZRNHVCYSHGVDN-UHFFFAOYSA-N
XLogP21.65
TPSA479.76 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.50
LogP ≤ 521.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine (CID 160564014) is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine is CCN(CC)CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine?
The InChIKey is QZRNHVCYSHGVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O.C22H18ClN7O.C22H16ClN7O.C22H21ClN6O.C21H19ClN6O/c1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-30-9-6-17(29-30)20-19(14-10-13-4-2-8-26-18(13)16(23)11-14)28-22(21(24)27-20)31-15-5-3-7-25-12-15;1-29-9-7-17(28-29)20-19(15-10-14-6-3-8-25-18(14)16(23)11-15)27-22(21(24)26-20)30-12-13-4-2-5-13;1-28-8-6-16(27-28)19-18(26-21(20(23)25-19)29-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27);3-12H,1-2H3,(H2,24,26);2-12H,1H3,(H2,24,27);3,6-11,13H,2,4-5,12H2,1H3,(H2,24,26);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine has a molecular weight of 2141.50 g/mol, XLogP of 21.65, 26 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)oxypyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-yloxypyrazin-2-amine is sourced from PubChem (CID 160564014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).