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

C104H101Cl4N25O5 — CID 160784362

IUPAC1-[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
SMILESCN1CC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C27H27ClN6O.C26H25ClN6O2.C26H25ClN6O.C25H24ClN7O/c28-21-15-20(14-19-12-7-13-30-22(19)21)24-23(18-10-5-2-6-11-18)32-25(29)26(33-24)34-27(35)31-16-17-8-3-1-4-9-17;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;27-20-14-19(13-18-11-6-12-29-21(18)20)23-22(17-9-2-1-3-10-17)31-24(28)25(32-23)33-26(34)30-15-16-7-4-5-8-16;1-33-13-15(14-33)12-29-25(34)32-24-23(27)30-21(16-6-3-2-4-7-16)22(31-24)18-10-17-8-5-9-28-20(17)19(26)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,29,32)(H2,31,33,34,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34);1-3,6,9-14,16H,4-5,7-8,15H2,(H2,28,31)(H2,30,32,33,34);2-11,15H,12-14H2,1H3,(H2,27,30)(H2,29,31,32,34)
InChIKeySAZWIESDMLXVHZ-UHFFFAOYSA-N
MW1922.93 g/mol
LogP21.62
Rot. Bonds20

About 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

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 (PubChem CID 160784362) has the molecular formula C104H101Cl4N25O5 and a molecular weight of 1922.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160784362
Molecular FormulaC104H101Cl4N25O5
Molecular Weight1922.93 g/mol
Exact Mass1919.72
IUPAC Name1-[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
SMILESCN1CC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C27H27ClN6O.C26H25ClN6O2.C26H25ClN6O.C25H24ClN7O/c28-21-15-20(14-19-12-7-13-30-22(19)21)24-23(18-10-5-2-6-11-18)32-25(29)26(33-24)34-27(35)31-16-17-8-3-1-4-9-17;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;27-20-14-19(13-18-11-6-12-29-21(18)20)23-22(17-9-2-1-3-10-17)31-24(28)25(32-23)33-26(34)30-15-16-7-4-5-8-16;1-33-13-15(14-33)12-29-25(34)32-24-23(27)30-21(16-6-3-2-4-7-16)22(31-24)18-10-17-8-5-9-28-20(17)19(26)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,29,32)(H2,31,33,34,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34);1-3,6,9-14,16H,4-5,7-8,15H2,(H2,28,31)(H2,30,32,33,34);2-11,15H,12-14H2,1H3,(H2,27,30)(H2,29,31,32,34)
InChIKeySAZWIESDMLXVHZ-UHFFFAOYSA-N
XLogP21.62
TPSA435.75 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001922.93
LogP ≤ 521.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 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 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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)NCC1CCCCC1.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-(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?
The InChIKey is SAZWIESDMLXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O.C26H25ClN6O2.C26H25ClN6O.C25H24ClN7O/c28-21-15-20(14-19-12-7-13-30-22(19)21)24-23(18-10-5-2-6-11-18)32-25(29)26(33-24)34-27(35)31-16-17-8-3-1-4-9-17;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;27-20-14-19(13-18-11-6-12-29-21(18)20)23-22(17-9-2-1-3-10-17)31-24(28)25(32-23)33-26(34)30-15-16-7-4-5-8-16;1-33-13-15(14-33)12-29-25(34)32-24-23(27)30-21(16-6-3-2-4-7-16)22(31-24)18-10-17-8-5-9-28-20(17)19(26)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,29,32)(H2,31,33,34,35);1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,31)(H2,30,32,33,34);1-3,6,9-14,16H,4-5,7-8,15H2,(H2,28,31)(H2,30,32,33,34);2-11,15H,12-14H2,1H3,(H2,27,30)(H2,29,31,32,34).
What are the key properties of 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?
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 has a molecular weight of 1922.93 g/mol, XLogP of 21.62, 20 rotatable bonds, 12 hydrogen bond donors, and 22 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-(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 is sourced from PubChem (CID 160784362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).