1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea

C188H130BrCl12F4N53O44S21 — CID 159523320

IUPAC1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClN6O4S2.C19H11ClF3N5O4S2.C19H15ClN6O4S2.2C19H14ClN5O5S2.C18H11BrClN5O4S2.2C18H11Cl2N5O4S2.C18H11ClFN5O4S2.C18H13ClN6O6S3/c23-18-6-8-20(34-18)35(32,33)27-22(31)26-14-3-7-19(24-12-14)29-13-25-17-11-15(28-9-1-2-10-28)4-5-16(17)21(29)30;20-14-4-6-16(33-14)34(31,32)27-18(30)26-11-2-5-15(24-8-11)28-9-25-13-3-1-10(19(21,22)23)7-12(13)17(28)29;1-21-11-2-4-13-14(8-11)23-10-26(18(13)27)16-6-3-12(9-22-16)24-19(28)25-32(29,30)17-7-5-15(20)31-17;1-30-12-3-4-14-13(8-12)18(26)25(10-22-14)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;1-30-12-3-4-13-14(8-12)22-10-25(18(13)26)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;2*19-10-1-3-13-12(7-10)17(26)25(9-22-13)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-10-1-3-12-13(7-10)22-9-25(17(12)26)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-14-4-6-16(30-14)31(28,29)24-18(27)23-11-2-5-15(21-8-11)25-9-22-13-3-1-10(20)7-12(13)17(25)26;19-14-4-6-16(32-14)34(28,29)24-18(27)23-10-1-5-15(21-8-10)25-9-22-13-3-2-11(33-31-30-20)7-12(13)17(25)26/h3-8,11-13H,1-2,9-10H2,(H2,26,27,31);1-9H,(H2,26,27,30);2-10,21H,1H3,(H2,24,25,28);2*2-10H,1H3,(H2,23,24,27);4*1-9H,(H2,23,24,27);1-9H,20H2,(H2,23,24,27)
InChIKeyMCBVEMXLCDGNFP-UHFFFAOYSA-N
MW5090.17 g/mol
LogP33.78
Rot. Bonds47

About 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea

1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 159523320) has the molecular formula C188H130BrCl12F4N53O44S21 and a molecular weight of 5090.17 g/mol. Its IUPAC name is 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
PubChem CID159523320
Molecular FormulaC188H130BrCl12F4N53O44S21
Molecular Weight5090.17 g/mol
Exact Mass5078.91
IUPAC Name1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClN6O4S2.C19H11ClF3N5O4S2.C19H15ClN6O4S2.2C19H14ClN5O5S2.C18H11BrClN5O4S2.2C18H11Cl2N5O4S2.C18H11ClFN5O4S2.C18H13ClN6O6S3/c23-18-6-8-20(34-18)35(32,33)27-22(31)26-14-3-7-19(24-12-14)29-13-25-17-11-15(28-9-1-2-10-28)4-5-16(17)21(29)30;20-14-4-6-16(33-14)34(31,32)27-18(30)26-11-2-5-15(24-8-11)28-9-25-13-3-1-10(19(21,22)23)7-12(13)17(28)29;1-21-11-2-4-13-14(8-11)23-10-26(18(13)27)16-6-3-12(9-22-16)24-19(28)25-32(29,30)17-7-5-15(20)31-17;1-30-12-3-4-14-13(8-12)18(26)25(10-22-14)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;1-30-12-3-4-13-14(8-12)22-10-25(18(13)26)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;2*19-10-1-3-13-12(7-10)17(26)25(9-22-13)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-10-1-3-12-13(7-10)22-9-25(17(12)26)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-14-4-6-16(30-14)31(28,29)24-18(27)23-11-2-5-15(21-8-11)25-9-22-13-3-1-10(20)7-12(13)17(25)26;19-14-4-6-16(32-14)34(28,29)24-18(27)23-10-1-5-15(21-8-10)25-9-22-13-3-2-11(33-31-30-20)7-12(13)17(25)26/h3-8,11-13H,1-2,9-10H2,(H2,26,27,31);1-9H,(H2,26,27,30);2-10,21H,1H3,(H2,24,25,28);2*2-10H,1H3,(H2,23,24,27);4*1-9H,(H2,23,24,27);1-9H,20H2,(H2,23,24,27)
InChIKeyMCBVEMXLCDGNFP-UHFFFAOYSA-N
XLogP33.78
TPSA1308.71 Ų
H-Bond Donors22
H-Bond Acceptors88
Rotatable Bonds47
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005090.17
LogP ≤ 533.78
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1088

Analyze 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?
The IUPAC name of 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea (CID 159523320) is 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Cl)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(F)cc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?
The InChIKey is MCBVEMXLCDGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O4S2.C19H11ClF3N5O4S2.C19H15ClN6O4S2.2C19H14ClN5O5S2.C18H11BrClN5O4S2.2C18H11Cl2N5O4S2.C18H11ClFN5O4S2.C18H13ClN6O6S3/c23-18-6-8-20(34-18)35(32,33)27-22(31)26-14-3-7-19(24-12-14)29-13-25-17-11-15(28-9-1-2-10-28)4-5-16(17)21(29)30;20-14-4-6-16(33-14)34(31,32)27-18(30)26-11-2-5-15(24-8-11)28-9-25-13-3-1-10(19(21,22)23)7-12(13)17(28)29;1-21-11-2-4-13-14(8-11)23-10-26(18(13)27)16-6-3-12(9-22-16)24-19(28)25-32(29,30)17-7-5-15(20)31-17;1-30-12-3-4-14-13(8-12)18(26)25(10-22-14)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;1-30-12-3-4-13-14(8-12)22-10-25(18(13)26)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17;2*19-10-1-3-13-12(7-10)17(26)25(9-22-13)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-10-1-3-12-13(7-10)22-9-25(17(12)26)15-5-2-11(8-21-15)23-18(27)24-31(28,29)16-6-4-14(20)30-16;19-14-4-6-16(30-14)31(28,29)24-18(27)23-11-2-5-15(21-8-11)25-9-22-13-3-1-10(20)7-12(13)17(25)26;19-14-4-6-16(32-14)34(28,29)24-18(27)23-10-1-5-15(21-8-10)25-9-22-13-3-2-11(33-31-30-20)7-12(13)17(25)26/h3-8,11-13H,1-2,9-10H2,(H2,26,27,31);1-9H,(H2,26,27,30);2-10,21H,1H3,(H2,24,25,28);2*2-10H,1H3,(H2,23,24,27);4*1-9H,(H2,23,24,27);1-9H,20H2,(H2,23,24,27).
What are the key properties of 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?
1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 5090.17 g/mol, XLogP of 33.78, 47 rotatable bonds, 22 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-bromo-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(6-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[6-(7-chloro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 159523320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).