N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine

C103H91Cl8FN20O9S4 — CID 165100753

IUPACN-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine
SMILESC#Cc1cnc2ccc(-c3cnc(Cl)c(CS(C)(=O)=O)c3)cc2c1Nc1ccc(F)c(Cl)c1.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)cnc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN(C)C)c4)cc23)cc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN5CCN(C)CC5)c4)cc23)cc1Cl
InChIInChI=1S/C28H22Cl2N4O3S.C27H29Cl2N7O2S.C24H16Cl2FN3O2S.C24H24Cl2N6O2S/c1-38(35,36)17-20-12-19(15-33-28(20)30)18-5-7-25-23(13-18)26(9-11-32-25)34-21-6-8-27(24(29)14-21)37-16-22-4-2-3-10-31-22;1-18-3-5-21(15-23(18)28)33-27-22-13-19(4-6-24(22)31-17-32-27)20-14-25(26(29)30-16-20)34-39(37,38)12-11-36-9-7-35(2)8-10-36;1-3-14-11-28-22-7-4-15(16-8-17(13-33(2,31)32)24(26)29-12-16)9-19(22)23(14)30-18-5-6-21(27)20(25)10-18;1-15-4-6-18(12-20(15)25)30-24-19-10-16(5-7-21(19)28-14-29-24)17-11-22(23(26)27-13-17)31-35(33,34)9-8-32(2)3/h2-15H,16-17H2,1H3,(H,32,34);3-6,13-17,34H,7-12H2,1-2H3,(H,31,32,33);1,4-12H,13H2,2H3,(H,28,30);4-7,10-14,31H,8-9H2,1-3H3,(H,28,29,30)
InChIKeyYGWBLQFSDZOYQS-UHFFFAOYSA-N
MW2183.88 g/mol
LogP23.27
Rot. Bonds29

About N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine

N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine (PubChem CID 165100753) has the molecular formula C103H91Cl8FN20O9S4 and a molecular weight of 2183.88 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine
PubChem CID165100753
Molecular FormulaC103H91Cl8FN20O9S4
Molecular Weight2183.88 g/mol
Exact Mass2178.37
IUPAC NameN-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine
SMILESC#Cc1cnc2ccc(-c3cnc(Cl)c(CS(C)(=O)=O)c3)cc2c1Nc1ccc(F)c(Cl)c1.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)cnc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN(C)C)c4)cc23)cc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN5CCN(C)CC5)c4)cc23)cc1Cl
InChIInChI=1S/C28H22Cl2N4O3S.C27H29Cl2N7O2S.C24H16Cl2FN3O2S.C24H24Cl2N6O2S/c1-38(35,36)17-20-12-19(15-33-28(20)30)18-5-7-25-23(13-18)26(9-11-32-25)34-21-6-8-27(24(29)14-21)37-16-22-4-2-3-10-31-22;1-18-3-5-21(15-23(18)28)33-27-22-13-19(4-6-24(22)31-17-32-27)20-14-25(26(29)30-16-20)34-39(37,38)12-11-36-9-7-35(2)8-10-36;1-3-14-11-28-22-7-4-15(16-8-17(13-33(2,31)32)24(26)29-12-16)9-19(22)23(14)30-18-5-6-21(27)20(25)10-18;1-15-4-6-18(12-20(15)25)30-24-19-10-16(5-7-21(19)28-14-29-24)17-11-22(23(26)27-13-17)31-35(33,34)9-8-32(2)3/h2-15H,16-17H2,1H3,(H,32,34);3-6,13-17,34H,7-12H2,1-2H3,(H,31,32,33);1,4-12H,13H2,2H3,(H,28,30);4-7,10-14,31H,8-9H2,1-3H3,(H,28,29,30)
InChIKeyYGWBLQFSDZOYQS-UHFFFAOYSA-N
XLogP23.27
TPSA369.48 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002183.88
LogP ≤ 523.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine?
The IUPAC name of N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine (CID 165100753) is N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine.
What is the SMILES notation for N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine?
The canonical SMILES for N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine is C#Cc1cnc2ccc(-c3cnc(Cl)c(CS(C)(=O)=O)c3)cc2c1Nc1ccc(F)c(Cl)c1.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)cnc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN(C)C)c4)cc23)cc1Cl.Cc1ccc(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CCN5CCN(C)CC5)c4)cc23)cc1Cl.
What is the InChIKey of N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine?
The InChIKey is YGWBLQFSDZOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N4O3S.C27H29Cl2N7O2S.C24H16Cl2FN3O2S.C24H24Cl2N6O2S/c1-38(35,36)17-20-12-19(15-33-28(20)30)18-5-7-25-23(13-18)26(9-11-32-25)34-21-6-8-27(24(29)14-21)37-16-22-4-2-3-10-31-22;1-18-3-5-21(15-23(18)28)33-27-22-13-19(4-6-24(22)31-17-32-27)20-14-25(26(29)30-16-20)34-39(37,38)12-11-36-9-7-35(2)8-10-36;1-3-14-11-28-22-7-4-15(16-8-17(13-33(2,31)32)24(26)29-12-16)9-19(22)23(14)30-18-5-6-21(27)20(25)10-18;1-15-4-6-18(12-20(15)25)30-24-19-10-16(5-7-21(19)28-14-29-24)17-11-22(23(26)27-13-17)31-35(33,34)9-8-32(2)3/h2-15H,16-17H2,1H3,(H,32,34);3-6,13-17,34H,7-12H2,1-2H3,(H,31,32,33);1,4-12H,13H2,2H3,(H,28,30);4-7,10-14,31H,8-9H2,1-3H3,(H,28,29,30).
What are the key properties of N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine?
N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine has a molecular weight of 2183.88 g/mol, XLogP of 23.27, 29 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide;N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-3-ethynylquinolin-4-amine;6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinolin-4-amine is sourced from PubChem (CID 165100753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).