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

C100H75Cl6F3N32O22S11 — CID 157499285

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

1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 157499285) has the molecular formula C100H75Cl6F3N32O22S11 and a molecular weight of 2699.35 g/mol. Its IUPAC name is 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 157499285
• Molecular Formula: C100H75Cl6F3N32O22S11
• Molecular Weight: 2699.35 g/mol
• Exact Mass: 2694.07
• IUPAC Name: 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cn4)cnc3cc2N1.CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Cl.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C21H17ClN6O4S2.C20H14ClF3N6O4S2.C20H14ClN7O6S3.C20H16ClN7O4S2.C19H14Cl2N6O4S2/c22-17-6-8-19(33-17)34(31,32)27-21(30)26-14-4-7-18(23-10-14)28-11-24-16-9-13(25-12-1-2-12)3-5-15(16)20(28)29;21-15-4-6-17(35-15)36(33,34)29-19(32)28-12-2-5-16(25-8-12)30-10-27-14-7-11(26-9-20(22,23)24)1-3-13(14)18(30)31;1-10-24-14-7-13-12(6-15(14)36(31,32)26-10)19(29)28(9-23-13)17-4-2-11(8-22-17)25-20(30)27-37(33,34)18-5-3-16(21)35-18;1-23-18(22)11-2-4-13-14(8-11)25-10-28(19(13)29)16-6-3-12(9-24-16)26-20(30)27-34(31,32)17-7-5-15(21)33-17;1-22-14-7-13-11(6-12(14)20)18(28)27(9-24-13)16-4-2-10(8-23-16)25-19(29)26-33(30,31)17-5-3-15(21)32-17/h3-12,25H,1-2H2,(H2,26,27,30);1-8,10,26H,9H2,(H2,28,29,32);2-9H,1H3,(H,24,26)(H2,25,27,30);2-10H,1H3,(H2,22,23)(H2,26,27,30);2-9,22H,1H3,(H2,25,26,29)
• InChIKey: BYFDUHMPGMZHDI-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 748.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 47
• Rotatable Bonds: 26
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.35
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (CID 157499285) is 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cn4)cnc3cc2N1.CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Cl.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is BYFDUHMPGMZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O4S2.C20H14ClF3N6O4S2.C20H14ClN7O6S3.C20H16ClN7O4S2.C19H14Cl2N6O4S2/c22-17-6-8-19(33-17)34(31,32)27-21(30)26-14-4-7-18(23-10-14)28-11-24-16-9-13(25-12-1-2-12)3-5-15(16)20(28)29;21-15-4-6-17(35-15)36(33,34)29-19(32)28-12-2-5-16(25-8-12)30-10-27-14-7-11(26-9-20(22,23)24)1-3-13(14)18(30)31;1-10-24-14-7-13-12(6-15(14)36(31,32)26-10)19(29)28(9-23-13)17-4-2-11(8-22-17)25-20(30)27-37(33,34)18-5-3-16(21)35-18;1-23-18(22)11-2-4-13-14(8-11)25-10-28(19(13)29)16-6-3-12(9-24-16)26-20(30)27-34(31,32)17-7-5-15(21)33-17;1-22-14-7-13-11(6-12(14)20)18(28)27(9-24-13)16-4-2-10(8-23-16)25-19(29)26-33(30,31)17-5-3-15(21)32-17/h3-12,25H,1-2H2,(H2,26,27,30);1-8,10,26H,9H2,(H2,28,29,32);2-9H,1H3,(H,24,26)(H2,25,27,30);2-10H,1H3,(H2,22,23)(H2,26,27,30);2-9,22H,1H3,(H2,25,26,29).

What are the key properties of 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2699.35 g/mol, XLogP of 16.14, 26 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 157499285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).