1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea

C120H95Cl6F3N36O30S13 — CID 159083729

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H17ClN6O5S2.C20H14ClF3N6O5S2.C20H16ClN7O5S2.2C20H17ClN6O5S2.C19H14ClN5O5S3/c22-16-6-8-18(34-16)35(32,33)27-20(30)25-13-4-7-17(23-10-13)28-19(29)14-5-3-12(24-11-1-2-11)9-15(14)26-21(28)31;21-14-4-6-16(36-14)37(34,35)29-18(32)27-11-2-5-15(25-8-11)30-17(31)12-3-1-10(26-9-20(22,23)24)7-13(12)28-19(30)33;1-23-17(22)10-2-4-12-13(8-10)26-20(31)28(18(12)29)15-6-3-11(9-24-15)25-19(30)27-35(32,33)16-7-5-14(21)34-16;1-26(2)12-4-5-13-14(9-12)24-20(30)27(18(13)28)16-7-3-11(10-22-16)23-19(29)25-34(31,32)17-8-6-15(21)33-17;1-2-22-11-3-5-13-14(9-11)25-20(30)27(18(13)28)16-7-4-12(10-23-16)24-19(29)26-34(31,32)17-8-6-15(21)33-17;1-31-11-3-4-13-12(8-11)17(26)25(19(28)23-13)15-6-2-10(9-21-15)22-18(27)24-33(29,30)16-7-5-14(20)32-16/h3-11,24H,1-2H2,(H,26,31)(H2,25,27,30);1-8,26H,9H2,(H,28,33)(H2,27,29,32);2-9H,1H3,(H2,22,23)(H,26,31)(H2,25,27,30);3-10H,1-2H3,(H,24,30)(H2,23,25,29);3-10,22H,2H2,1H3,(H,25,30)(H2,24,26,29);2-9H,1H3,(H,23,28)(H2,22,24,27)
InChIKeyKBEHUMXVNAXOCV-UHFFFAOYSA-N
MW3207.88 g/mol
LogP15.90
Rot. Bonds33

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea (PubChem CID 159083729) has the molecular formula C120H95Cl6F3N36O30S13 and a molecular weight of 3207.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
PubChem CID159083729
Molecular FormulaC120H95Cl6F3N36O30S13
Molecular Weight3207.88 g/mol
Exact Mass3202.15
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
SMILESC/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H17ClN6O5S2.C20H14ClF3N6O5S2.C20H16ClN7O5S2.2C20H17ClN6O5S2.C19H14ClN5O5S3/c22-16-6-8-18(34-16)35(32,33)27-20(30)25-13-4-7-17(23-10-13)28-19(29)14-5-3-12(24-11-1-2-11)9-15(14)26-21(28)31;21-14-4-6-16(36-14)37(34,35)29-18(32)27-11-2-5-15(25-8-11)30-17(31)12-3-1-10(26-9-20(22,23)24)7-13(12)28-19(30)33;1-23-17(22)10-2-4-12-13(8-10)26-20(31)28(18(12)29)15-6-3-11(9-24-15)25-19(30)27-35(32,33)16-7-5-14(21)34-16;1-26(2)12-4-5-13-14(9-12)24-20(30)27(18(13)28)16-7-3-11(10-22-16)23-19(29)25-34(31,32)17-8-6-15(21)33-17;1-2-22-11-3-5-13-14(9-11)25-20(30)27(18(13)28)16-7-4-12(10-23-16)24-19(29)26-34(31,32)17-8-6-15(21)33-17;1-31-11-3-4-13-12(8-11)17(26)25(19(28)23-13)15-6-2-10(9-21-15)22-18(27)24-33(29,30)16-7-5-14(20)32-16/h3-11,24H,1-2H2,(H,26,31)(H2,25,27,30);1-8,26H,9H2,(H,28,33)(H2,27,29,32);2-9H,1H3,(H2,22,23)(H,26,31)(H2,25,27,30);3-10H,1-2H3,(H,24,30)(H2,23,25,29);3-10,22H,2H2,1H3,(H,25,30)(H2,24,26,29);2-9H,1H3,(H,23,28)(H2,22,24,27)
InChIKeyKBEHUMXVNAXOCV-UHFFFAOYSA-N
XLogP15.90
TPSA935.83 Ų
H-Bond Donors22
H-Bond Acceptors54
Rotatable Bonds33
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.88
LogP ≤ 515.90
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea (CID 159083729) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?
The InChIKey is KBEHUMXVNAXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O5S2.C20H14ClF3N6O5S2.C20H16ClN7O5S2.2C20H17ClN6O5S2.C19H14ClN5O5S3/c22-16-6-8-18(34-16)35(32,33)27-20(30)25-13-4-7-17(23-10-13)28-19(29)14-5-3-12(24-11-1-2-11)9-15(14)26-21(28)31;21-14-4-6-16(36-14)37(34,35)29-18(32)27-11-2-5-15(25-8-11)30-17(31)12-3-1-10(26-9-20(22,23)24)7-13(12)28-19(30)33;1-23-17(22)10-2-4-12-13(8-10)26-20(31)28(18(12)29)15-6-3-11(9-24-15)25-19(30)27-35(32,33)16-7-5-14(21)34-16;1-26(2)12-4-5-13-14(9-12)24-20(30)27(18(13)28)16-7-3-11(10-22-16)23-19(29)25-34(31,32)17-8-6-15(21)33-17;1-2-22-11-3-5-13-14(9-11)25-20(30)27(18(13)28)16-7-4-12(10-23-16)24-19(29)26-34(31,32)17-8-6-15(21)33-17;1-31-11-3-4-13-12(8-11)17(26)25(19(28)23-13)15-6-2-10(9-21-15)22-18(27)24-33(29,30)16-7-5-14(20)32-16/h3-11,24H,1-2H2,(H,26,31)(H2,25,27,30);1-8,26H,9H2,(H,28,33)(H2,27,29,32);2-9H,1H3,(H2,22,23)(H,26,31)(H2,25,27,30);3-10H,1-2H3,(H,24,30)(H2,23,25,29);3-10,22H,2H2,1H3,(H,25,30)(H2,24,26,29);2-9H,1H3,(H,23,28)(H2,22,24,27).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea has a molecular weight of 3207.88 g/mol, XLogP of 15.90, 33 rotatable bonds, 22 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea is sourced from PubChem (CID 159083729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).