4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide

C87H97Cl3N22O10S3 — CID 157290281

IUPAC4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NC3CCNCC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCN(C)CC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCOCC3)nc3ccccc23)ncc1Cl
InChIInChI=1S/C30H35ClN8O3S.C29H32ClN7O4S.C28H30ClN7O3S/c1-20(2)43(41,42)27-11-7-6-10-24(27)35-28-22(31)19-33-30(37-28)36-25-18-26(34-23-9-5-4-8-21(23)25)29(40)32-12-13-39-16-14-38(3)15-17-39;1-19(2)42(39,40)26-10-6-5-9-23(26)34-27-21(30)18-32-29(36-27)35-24-17-25(33-22-8-4-3-7-20(22)24)28(38)31-11-12-37-13-15-41-16-14-37;1-17(2)40(38,39)25-10-6-5-9-22(25)34-26-20(29)16-31-28(36-26)35-23-15-24(33-21-8-4-3-7-19(21)23)27(37)32-18-11-13-30-14-12-18/h4-11,18-20H,12-17H2,1-3H3,(H,32,40)(H2,33,34,35,36,37);3-10,17-19H,11-16H2,1-2H3,(H,31,38)(H2,32,33,34,35,36);3-10,15-18,30H,11-14H2,1-2H3,(H,32,37)(H2,31,33,34,35,36)
InChIKeyBASHCIIBAAANTQ-UHFFFAOYSA-N
MW1813.44 g/mol
LogP13.56
Rot. Bonds28

About 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide

4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide (PubChem CID 157290281) has the molecular formula C87H97Cl3N22O10S3 and a molecular weight of 1813.44 g/mol. Its IUPAC name is 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
PubChem CID157290281
Molecular FormulaC87H97Cl3N22O10S3
Molecular Weight1813.44 g/mol
Exact Mass1810.60
IUPAC Name4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NC3CCNCC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCN(C)CC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCOCC3)nc3ccccc23)ncc1Cl
InChIInChI=1S/C30H35ClN8O3S.C29H32ClN7O4S.C28H30ClN7O3S/c1-20(2)43(41,42)27-11-7-6-10-24(27)35-28-22(31)19-33-30(37-28)36-25-18-26(34-23-9-5-4-8-21(23)25)29(40)32-12-13-39-16-14-38(3)15-17-39;1-19(2)42(39,40)26-10-6-5-9-23(26)34-27-21(30)18-32-29(36-27)35-24-17-25(33-22-8-4-3-7-20(22)24)28(38)31-11-12-37-13-15-41-16-14-37;1-17(2)40(38,39)25-10-6-5-9-22(25)34-26-20(29)16-31-28(36-26)35-23-15-24(33-21-8-4-3-7-19(21)23)27(37)32-18-11-13-30-14-12-18/h4-11,18-20H,12-17H2,1-3H3,(H,32,40)(H2,33,34,35,36,37);3-10,17-19H,11-16H2,1-2H3,(H,31,38)(H2,32,33,34,35,36);3-10,15-18,30H,11-14H2,1-2H3,(H,32,37)(H2,31,33,34,35,36)
InChIKeyBASHCIIBAAANTQ-UHFFFAOYSA-N
XLogP13.56
TPSA408.89 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001813.44
LogP ≤ 513.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)-7-formyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036705
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
CID 25159881
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 25159883
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
CID 25159885
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N,6-dimethylquinoline-2-carboxamide
CID 25160011
4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-methylquinoline-2-carboxamide
CID 25160013
4-[[5-Chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-6-methylquinoline-2-carboxamide
CID 67071127
4-[[5-chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-1-ylquinoline-2-carboxamide
CID 67071226
4-[[5-chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-N,6-dimethylquinoline-2-carboxamide
CID 67071248
4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
CID 68222682
4-[[5-(iodomethyl)-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
CID 89349454
1-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038294

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide (CID 157290281) is 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NC3CCNCC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCN(C)CC3)nc3ccccc23)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C(=O)NCCN3CCOCC3)nc3ccccc23)ncc1Cl.
What is the InChIKey of 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide?
The InChIKey is BASHCIIBAAANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN8O3S.C29H32ClN7O4S.C28H30ClN7O3S/c1-20(2)43(41,42)27-11-7-6-10-24(27)35-28-22(31)19-33-30(37-28)36-25-18-26(34-23-9-5-4-8-21(23)25)29(40)32-12-13-39-16-14-38(3)15-17-39;1-19(2)42(39,40)26-10-6-5-9-23(26)34-27-21(30)18-32-29(36-27)35-24-17-25(33-22-8-4-3-7-20(22)24)28(38)31-11-12-37-13-15-41-16-14-37;1-17(2)40(38,39)25-10-6-5-9-22(25)34-26-20(29)16-31-28(36-26)35-23-15-24(33-21-8-4-3-7-19(21)23)27(37)32-18-11-13-30-14-12-18/h4-11,18-20H,12-17H2,1-3H3,(H,32,40)(H2,33,34,35,36,37);3-10,17-19H,11-16H2,1-2H3,(H,31,38)(H2,32,33,34,35,36);3-10,15-18,30H,11-14H2,1-2H3,(H,32,37)(H2,31,33,34,35,36).
What are the key properties of 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide?
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide has a molecular weight of 1813.44 g/mol, XLogP of 13.56, 28 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 157290281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).