N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide

C172H172Cl6F14N28O34S10 — CID 167558889

IUPACN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide
SMILESCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(Cl)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Sc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.Cc1c(Oc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22ClFN4O3S.2C19H18ClF2N3O4S.2C19H19ClFN3O4S.C19H19ClFN3O3S2.C19H18F3N3O4S.C19H19F2N3O4S.C19H20FN3O4S/c1-5-11(2)30(28,29)25-16-7-6-13(22)19(18(16)21)24-14-8-9-15-17(12(14)3)20(27)26(4)10-23-15;1-11-15(7-6-13-16(11)19(26)25(2)10-23-13)29-18-12(22)4-5-14(17(18)20)24-30(27,28)9-3-8-21;1-4-7-30(27,28)24-13-8-11(21)17(22)18(16(13)20)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-7-29(26,27)23-14-8-12(21)9-16(18(14)20)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-7-29(26,27)23-14-8-12(20)9-16(18(14)21)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-7-30(27,28)24-13-8-11(20)16(21)18(17(13)22)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-9-29(26,27)23-14-6-5-12(20)18(17(14)21)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-10-28(25,26)22-14-6-5-7-16(18(14)20)27-15-9-8-13-17(12(15)2)19(24)23(3)11-21-13/h6-11,24-25H,5H2,1-4H3;4-7,10,24H,3,8-9H2,1-2H3;5-6,8-9,24H,4,7H2,1-3H3;2*5-6,8-10,23H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-6,8-9,24H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-9,11,22H,4,10H2,1-3H3
InChIKeyDJLPPLFOAVMGIU-UHFFFAOYSA-N
MW3974.79 g/mol
LogP35.05
Rot. Bonds55

About N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide

N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide (PubChem CID 167558889) has the molecular formula C172H172Cl6F14N28O34S10 and a molecular weight of 3974.79 g/mol. Its IUPAC name is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide
PubChem CID167558889
Molecular FormulaC172H172Cl6F14N28O34S10
Molecular Weight3974.79 g/mol
Exact Mass3968.77
IUPAC NameN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide
SMILESCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(Cl)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Sc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.Cc1c(Oc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22ClFN4O3S.2C19H18ClF2N3O4S.2C19H19ClFN3O4S.C19H19ClFN3O3S2.C19H18F3N3O4S.C19H19F2N3O4S.C19H20FN3O4S/c1-5-11(2)30(28,29)25-16-7-6-13(22)19(18(16)21)24-14-8-9-15-17(12(14)3)20(27)26(4)10-23-15;1-11-15(7-6-13-16(11)19(26)25(2)10-23-13)29-18-12(22)4-5-14(17(18)20)24-30(27,28)9-3-8-21;1-4-7-30(27,28)24-13-8-11(21)17(22)18(16(13)20)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-7-29(26,27)23-14-8-12(21)9-16(18(14)20)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-7-29(26,27)23-14-8-12(20)9-16(18(14)21)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-7-30(27,28)24-13-8-11(20)16(21)18(17(13)22)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-9-29(26,27)23-14-6-5-12(20)18(17(14)21)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-10-28(25,26)22-14-6-5-7-16(18(14)20)27-15-9-8-13-17(12(15)2)19(24)23(3)11-21-13/h6-11,24-25H,5H2,1-4H3;4-7,10,24H,3,8-9H2,1-2H3;5-6,8-9,24H,4,7H2,1-3H3;2*5-6,8-10,23H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-6,8-9,24H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-9,11,22H,4,10H2,1-3H3
InChIKeyDJLPPLFOAVMGIU-UHFFFAOYSA-N
XLogP35.05
TPSA806.18 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds55
Heavy Atoms264
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003974.79
LogP ≤ 535.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide (CID 167558889) is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide is CCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(Cl)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cc(F)c(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Sc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1F.Cc1c(Oc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12.
What is the InChIKey of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide?
The InChIKey is DJLPPLFOAVMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O3S.2C19H18ClF2N3O4S.2C19H19ClFN3O4S.C19H19ClFN3O3S2.C19H18F3N3O4S.C19H19F2N3O4S.C19H20FN3O4S/c1-5-11(2)30(28,29)25-16-7-6-13(22)19(18(16)21)24-14-8-9-15-17(12(14)3)20(27)26(4)10-23-15;1-11-15(7-6-13-16(11)19(26)25(2)10-23-13)29-18-12(22)4-5-14(17(18)20)24-30(27,28)9-3-8-21;1-4-7-30(27,28)24-13-8-11(21)17(22)18(16(13)20)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-7-29(26,27)23-14-8-12(21)9-16(18(14)20)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-7-29(26,27)23-14-8-12(20)9-16(18(14)21)28-15-6-5-13-17(11(15)2)19(25)24(3)10-22-13;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-7-30(27,28)24-13-8-11(20)16(21)18(17(13)22)29-14-6-5-12-15(10(14)2)19(26)25(3)9-23-12;1-4-9-29(26,27)23-14-6-5-12(20)18(17(14)21)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-10-28(25,26)22-14-6-5-7-16(18(14)20)27-15-9-8-13-17(12(15)2)19(24)23(3)11-21-13/h6-11,24-25H,5H2,1-4H3;4-7,10,24H,3,8-9H2,1-2H3;5-6,8-9,24H,4,7H2,1-3H3;2*5-6,8-10,23H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-6,8-9,24H,4,7H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-9,11,22H,4,10H2,1-3H3.
What are the key properties of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide?
N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide has a molecular weight of 3974.79 g/mol, XLogP of 35.05, 55 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]butane-2-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4,5-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-5-fluorophenyl]propane-1-sulfonamide;N-[5-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)sulfanyl-4-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-fluorophenyl]propane-1-sulfonamide;N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 167558889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).