1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea

C132H104Cl7F9N32O26S13 — CID 158044613

IUPAC1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(C)nc3cc2N1.CNc1cc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2cc1Cl.Cc1nc2cc(N(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C23H19ClFN5O4S2.C22H16ClF4N5O4S2.C22H16ClFN6O6S3.C22H18ClFN6O4S2.C22H19ClFN5O4S2.C21H16Cl2FN5O4S2/c1-12-26-18-11-15(27-13-2-3-13)4-6-16(18)22(31)30(12)19-7-5-14(10-17(19)25)28-23(32)29-36(33,34)21-9-8-20(24)35-21;1-11-29-16-9-12(28-10-22(25,26)27)2-4-14(16)20(33)32(11)17-5-3-13(8-15(17)24)30-21(34)31-38(35,36)19-7-6-18(23)37-19;1-10-25-16-9-15-13(8-18(16)38(33,34)28-10)21(31)30(11(2)26-15)17-4-3-12(7-14(17)24)27-22(32)29-39(35,36)20-6-5-19(23)37-20;1-11-27-16-9-12(20(25)26-2)3-5-14(16)21(31)30(11)17-6-4-13(10-15(17)24)28-22(32)29-36(33,34)19-8-7-18(23)35-19;1-12-25-17-11-14(28(2)3)5-6-15(17)21(30)29(12)18-7-4-13(10-16(18)24)26-22(31)27-35(32,33)20-9-8-19(23)34-20;1-10-26-15-9-16(25-2)13(22)8-12(15)20(30)29(10)17-4-3-11(7-14(17)24)27-21(31)28-35(32,33)19-6-5-18(23)34-19/h4-11,13,27H,2-3H2,1H3,(H2,28,29,32);2-9,28H,10H2,1H3,(H2,30,31,34);3-9H,1-2H3,(H,25,28)(H2,27,29,32);3-10H,1-2H3,(H2,25,26)(H2,28,29,32);4-11H,1-3H3,(H2,26,27,31);3-9,25H,1-2H3,(H2,27,28,31)
InChIKeyFITHSEWWFHRFJI-UHFFFAOYSA-N
MW3390.51 g/mol
LogP25.53
Rot. Bonds31

About 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea

1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea (PubChem CID 158044613) has the molecular formula C132H104Cl7F9N32O26S13 and a molecular weight of 3390.51 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
PubChem CID158044613
Molecular FormulaC132H104Cl7F9N32O26S13
Molecular Weight3390.51 g/mol
Exact Mass3384.18
IUPAC Name1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(C)nc3cc2N1.CNc1cc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2cc1Cl.Cc1nc2cc(N(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C23H19ClFN5O4S2.C22H16ClF4N5O4S2.C22H16ClFN6O6S3.C22H18ClFN6O4S2.C22H19ClFN5O4S2.C21H16Cl2FN5O4S2/c1-12-26-18-11-15(27-13-2-3-13)4-6-16(18)22(31)30(12)19-7-5-14(10-17(19)25)28-23(32)29-36(33,34)21-9-8-20(24)35-21;1-11-29-16-9-12(28-10-22(25,26)27)2-4-14(16)20(33)32(11)17-5-3-13(8-15(17)24)30-21(34)31-38(35,36)19-7-6-18(23)37-19;1-10-25-16-9-15-13(8-18(16)38(33,34)28-10)21(31)30(11(2)26-15)17-4-3-12(7-14(17)24)27-22(32)29-39(35,36)20-6-5-19(23)37-20;1-11-27-16-9-12(20(25)26-2)3-5-14(16)21(31)30(11)17-6-4-13(10-15(17)24)28-22(32)29-36(33,34)19-8-7-18(23)35-19;1-12-25-17-11-14(28(2)3)5-6-15(17)21(30)29(12)18-7-4-13(10-16(18)24)26-22(31)27-35(32,33)20-9-8-19(23)34-20;1-10-26-15-9-16(25-2)13(22)8-12(15)20(30)29(10)17-4-3-11(7-14(17)24)27-21(31)28-35(32,33)19-6-5-18(23)34-19/h4-11,13,27H,2-3H2,1H3,(H2,28,29,32);2-9,28H,10H2,1H3,(H2,30,31,34);3-9H,1-2H3,(H,25,28)(H2,27,29,32);3-10H,1-2H3,(H2,25,26)(H2,28,29,32);4-11H,1-3H3,(H2,26,27,31);3-9,25H,1-2H3,(H2,27,28,31)
InChIKeyFITHSEWWFHRFJI-UHFFFAOYSA-N
XLogP25.53
TPSA797.20 Ų
H-Bond Donors17
H-Bond Acceptors50
Rotatable Bonds31
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003390.51
LogP ≤ 525.53
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea (CID 158044613) is 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(C)nc3cc2N1.CNc1cc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2cc1Cl.Cc1nc2cc(N(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.
What is the InChIKey of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?
The InChIKey is FITHSEWWFHRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O4S2.C22H16ClF4N5O4S2.C22H16ClFN6O6S3.C22H18ClFN6O4S2.C22H19ClFN5O4S2.C21H16Cl2FN5O4S2/c1-12-26-18-11-15(27-13-2-3-13)4-6-16(18)22(31)30(12)19-7-5-14(10-17(19)25)28-23(32)29-36(33,34)21-9-8-20(24)35-21;1-11-29-16-9-12(28-10-22(25,26)27)2-4-14(16)20(33)32(11)17-5-3-13(8-15(17)24)30-21(34)31-38(35,36)19-7-6-18(23)37-19;1-10-25-16-9-15-13(8-18(16)38(33,34)28-10)21(31)30(11(2)26-15)17-4-3-12(7-14(17)24)27-22(32)29-39(35,36)20-6-5-19(23)37-20;1-11-27-16-9-12(20(25)26-2)3-5-14(16)21(31)30(11)17-6-4-13(10-15(17)24)28-22(32)29-36(33,34)19-8-7-18(23)35-19;1-12-25-17-11-14(28(2)3)5-6-15(17)21(30)29(12)18-7-4-13(10-16(18)24)26-22(31)27-35(32,33)20-9-8-19(23)34-20;1-10-26-15-9-16(25-2)13(22)8-12(15)20(30)29(10)17-4-3-11(7-14(17)24)27-21(31)28-35(32,33)19-6-5-18(23)34-19/h4-11,13,27H,2-3H2,1H3,(H2,28,29,32);2-9,28H,10H2,1H3,(H2,30,31,34);3-9H,1-2H3,(H,25,28)(H2,27,29,32);3-10H,1-2H3,(H2,25,26)(H2,28,29,32);4-11H,1-3H3,(H2,26,27,31);3-9,25H,1-2H3,(H2,27,28,31).
What are the key properties of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?
1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea has a molecular weight of 3390.51 g/mol, XLogP of 25.53, 31 rotatable bonds, 17 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158044613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).