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

C106H96Cl4N26O6 — CID 159924080

IUPAC1-[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
SMILESCN1CCC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C28H23ClN6O2.C26H26ClN7O.C26H22ClN7O.C26H25ClN6O2/c1-37-21-11-9-17(10-12-21)16-32-28(36)35-27-26(30)33-24(18-6-3-2-4-7-18)25(34-27)20-14-19-8-5-13-31-23(19)22(29)15-20;2*1-34-11-9-16(15-34)14-30-26(35)33-25-24(28)31-22(17-6-3-2-4-7-17)23(32-25)19-12-18-8-5-10-29-21(18)20(27)13-19;27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)31-24(28)25(32-23)33-26(34)30-15-16-8-11-35-12-9-16/h2-15H,16H2,1H3,(H2,30,33)(H2,32,34,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,28,31)(H2,30,32,33,35);2-13,15H,14H2,1H3,(H2,28,31)(H2,30,32,33,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34)
InChIKeyNYTZWEUFIQUTJP-UHFFFAOYSA-N
MW1971.92 g/mol
LogP20.99
Rot. Bonds21

About 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

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 (PubChem CID 159924080) has the molecular formula C106H96Cl4N26O6 and a molecular weight of 1971.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159924080
Molecular FormulaC106H96Cl4N26O6
Molecular Weight1971.92 g/mol
Exact Mass1968.68
IUPAC Name1-[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
SMILESCN1CCC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C28H23ClN6O2.C26H26ClN7O.C26H22ClN7O.C26H25ClN6O2/c1-37-21-11-9-17(10-12-21)16-32-28(36)35-27-26(30)33-24(18-6-3-2-4-7-18)25(34-27)20-14-19-8-5-13-31-23(19)22(29)15-20;2*1-34-11-9-16(15-34)14-30-26(35)33-25-24(28)31-22(17-6-3-2-4-7-17)23(32-25)19-12-18-8-5-10-29-21(18)20(27)13-19;27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)31-24(28)25(32-23)33-26(34)30-15-16-8-11-35-12-9-16/h2-15H,16H2,1H3,(H2,30,33)(H2,32,34,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,28,31)(H2,30,32,33,35);2-13,15H,14H2,1H3,(H2,28,31)(H2,30,32,33,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34)
InChIKeyNYTZWEUFIQUTJP-UHFFFAOYSA-N
XLogP20.99
TPSA449.91 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001971.92
LogP ≤ 520.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 137431129
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 137431629
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 137431632
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
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 157173723
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
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea;3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methyl-6-phenylpyrazin-2-amine
CID 159254230
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
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 159749323
N-[(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 160126430
1-[8-Chloro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]pyrrolidin-2-one;1-(4,8-dichloro-3-methylquinolin-2-yl)pyrrolidin-2-one
CID 160212807
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(cyclopentylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 160784362

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCOCC1.
What is the InChIKey of 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?
The InChIKey is NYTZWEUFIQUTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN6O2.C26H26ClN7O.C26H22ClN7O.C26H25ClN6O2/c1-37-21-11-9-17(10-12-21)16-32-28(36)35-27-26(30)33-24(18-6-3-2-4-7-18)25(34-27)20-14-19-8-5-13-31-23(19)22(29)15-20;2*1-34-11-9-16(15-34)14-30-26(35)33-25-24(28)31-22(17-6-3-2-4-7-17)23(32-25)19-12-18-8-5-10-29-21(18)20(27)13-19;27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)31-24(28)25(32-23)33-26(34)30-15-16-8-11-35-12-9-16/h2-15H,16H2,1H3,(H2,30,33)(H2,32,34,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,28,31)(H2,30,32,33,35);2-13,15H,14H2,1H3,(H2,28,31)(H2,30,32,33,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34).
What are the key properties of 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?
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 has a molecular weight of 1971.92 g/mol, XLogP of 20.99, 21 rotatable bonds, 12 hydrogen bond donors, and 24 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-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 is sourced from PubChem (CID 159924080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).