1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea

C102H87Cl4N25O5 — CID 159131862

IUPAC1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NC1CCOCC1
InChIInChI=1S/C27H21ClN6O.C25H24ClN7O.C25H23ClN6O2.C25H19ClN6O/c1-16-9-11-20(12-10-16)31-27(35)34-26-25(29)32-23(17-6-3-2-4-7-17)24(33-26)19-14-18-8-5-13-30-22(18)21(28)15-19;1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17;26-19-14-17(13-16-7-4-10-28-20(16)19)22-21(15-5-2-1-3-6-15)30-23(27)24(31-22)32-25(33)29-18-8-11-34-12-9-18;1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-15H,1H3,(H2,29,32)(H2,31,33,34,35);2-8,10,12-13,18H,9,11,14H2,1H3,(H2,27,30)(H2,29,31,32,34);1-7,10,13-14,18H,8-9,11-12H2,(H2,27,30)(H2,29,31,32,33);2-14H,1H3,(H2,27,29)(H,30,31,33)
InChIKeyKGZNYAXXLNJIDR-UHFFFAOYSA-N
MW1884.80 g/mol
LogP21.05
Rot. Bonds16

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea (PubChem CID 159131862) has the molecular formula C102H87Cl4N25O5 and a molecular weight of 1884.80 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
PubChem CID159131862
Molecular FormulaC102H87Cl4N25O5
Molecular Weight1884.80 g/mol
Exact Mass1881.61
IUPAC Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NC1CCOCC1
InChIInChI=1S/C27H21ClN6O.C25H24ClN7O.C25H23ClN6O2.C25H19ClN6O/c1-16-9-11-20(12-10-16)31-27(35)34-26-25(29)32-23(17-6-3-2-4-7-17)24(33-26)19-14-18-8-5-13-30-22(18)21(28)15-19;1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17;26-19-14-17(13-16-7-4-10-28-20(16)19)22-21(15-5-2-1-3-6-15)30-23(27)24(31-22)32-25(33)29-18-8-11-34-12-9-18;1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-15H,1H3,(H2,29,32)(H2,31,33,34,35);2-8,10,12-13,18H,9,11,14H2,1H3,(H2,27,30)(H2,29,31,32,34);1-7,10,13-14,18H,8-9,11-12H2,(H2,27,30)(H2,29,31,32,33);2-14H,1H3,(H2,27,29)(H,30,31,33)
InChIKeyKGZNYAXXLNJIDR-UHFFFAOYSA-N
XLogP21.05
TPSA428.65 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.80
LogP ≤ 521.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea (CID 159131862) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea is CN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NC1CCOCC1.
What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The InChIKey is KGZNYAXXLNJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O.C25H24ClN7O.C25H23ClN6O2.C25H19ClN6O/c1-16-9-11-20(12-10-16)31-27(35)34-26-25(29)32-23(17-6-3-2-4-7-17)24(33-26)19-14-18-8-5-13-30-22(18)21(28)15-19;1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17;26-19-14-17(13-16-7-4-10-28-20(16)19)22-21(15-5-2-1-3-6-15)30-23(27)24(31-22)32-25(33)29-18-8-11-34-12-9-18;1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-15H,1H3,(H2,29,32)(H2,31,33,34,35);2-8,10,12-13,18H,9,11,14H2,1H3,(H2,27,30)(H2,29,31,32,34);1-7,10,13-14,18H,8-9,11-12H2,(H2,27,30)(H2,29,31,32,33);2-14H,1H3,(H2,27,29)(H,30,31,33).
What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea has a molecular weight of 1884.80 g/mol, XLogP of 21.05, 16 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 159131862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).