5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine

C119H98Cl5N23O5 — CID 159581148

IUPAC5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
SMILESCCN(CC)COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1
InChIInChI=1S/C24H18ClN5O.C24H16ClN5O.C24H24ClN5O.C24H21ClN4O.C23H19ClN4O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17;25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18;1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2-14H,1H3,(H2,26,28);1-14H,(H2,26,29);5-14H,3-4,15H2,1-2H3,(H2,26,28);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyMJAMLPNJYPGSCH-UHFFFAOYSA-N
MW2107.51 g/mol
LogP27.94
Rot. Bonds25

About 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine (PubChem CID 159581148) has the molecular formula C119H98Cl5N23O5 and a molecular weight of 2107.51 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
PubChem CID159581148
Molecular FormulaC119H98Cl5N23O5
Molecular Weight2107.51 g/mol
Exact Mass2103.66
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
SMILESCCN(CC)COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1
InChIInChI=1S/C24H18ClN5O.C24H16ClN5O.C24H24ClN5O.C24H21ClN4O.C23H19ClN4O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17;25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18;1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2-14H,1H3,(H2,26,28);1-14H,(H2,26,29);5-14H,3-4,15H2,1-2H3,(H2,26,28);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyMJAMLPNJYPGSCH-UHFFFAOYSA-N
XLogP27.94
TPSA390.66 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.51
LogP ≤ 527.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine with MolForge

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Related Compounds

4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 159763296
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 137430309
5-(8-Chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine
CID 137430319
5-(8-Chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
CID 137430320
5-(8-Chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
CID 154657837
5-(8-Chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
CID 154658134
5-[3-[3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-(diethylaminomethoxy)pyrazin-2-yl]phenyl]-8-chloroquinolin-6-yl]-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine
CID 156449941
5-[3-[3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]phenyl]-8-chloroquinolin-6-yl]-3-phenoxy-6-phenylpyrazin-2-amine
CID 156450025
5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-phenoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 157520564
4-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
CID 158163740
N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine
CID 158375513
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 159924080

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine (CID 159581148) is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine is CCN(CC)COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
The InChIKey is MJAMLPNJYPGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O.C24H16ClN5O.C24H24ClN5O.C24H21ClN4O.C23H19ClN4O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17;25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18;1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2-14H,1H3,(H2,26,28);1-14H,(H2,26,29);5-14H,3-4,15H2,1-2H3,(H2,26,28);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine has a molecular weight of 2107.51 g/mol, XLogP of 27.94, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(diethylaminomethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine is sourced from PubChem (CID 159581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).