6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one

C124H110BrCl10N17O20S10 — CID 161324276

IUPAC6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one
SMILESCCCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CN(C)CCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1cc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.O=C(Cc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C28H28Cl2N4O4S2.C25H24Cl2N4O4S2.C25H21Cl2N3O4S2.C24H21Cl2N3O4S2.C22H16BrCl2N3O4S2/c29-23-15-19(14-21(35)17-40(37,38)27-9-8-26(30)39-27)4-7-25(23)34-18-32-24-16-20(5-6-22(24)28(34)36)31-10-13-33-11-2-1-3-12-33;1-30(2)10-9-28-17-4-5-19-21(13-17)29-15-31(25(19)33)22-6-3-16(12-20(22)26)11-18(32)14-37(34,35)24-8-7-23(27)36-24;26-20-10-16(9-18(31)13-36(33,34)24-8-7-23(27)35-24)3-6-22(20)30-14-29-21-11-17(28-12-15-1-2-15)4-5-19(21)25(30)32;1-2-9-27-16-4-5-18-20(12-16)28-14-29(24(18)31)21-6-3-15(11-19(21)25)10-17(30)13-35(32,33)23-8-7-22(26)34-23;1-26-18-9-17-14(8-15(18)23)22(30)28(11-27-17)19-3-2-12(7-16(19)24)6-13(29)10-34(31,32)21-5-4-20(25)33-21/h4-9,15-16,18,31H,1-3,10-14,17H2;3-8,12-13,15,28H,9-11,14H2,1-2H3;3-8,10-11,14-15,28H,1-2,9,12-13H2;3-8,11-12,14,27H,2,9-10,13H2,1H3;2-5,7-9,11,26H,6,10H2,1H3
InChIKeyVKOFSYHHJCGUOD-UHFFFAOYSA-N
MW2913.45 g/mol
LogP25.02
Rot. Bonds45

About 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one

6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one (PubChem CID 161324276) has the molecular formula C124H110BrCl10N17O20S10 and a molecular weight of 2913.45 g/mol. Its IUPAC name is 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one
PubChem CID161324276
Molecular FormulaC124H110BrCl10N17O20S10
Molecular Weight2913.45 g/mol
Exact Mass2905.14
IUPAC Name6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one
SMILESCCCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CN(C)CCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1cc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.O=C(Cc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C28H28Cl2N4O4S2.C25H24Cl2N4O4S2.C25H21Cl2N3O4S2.C24H21Cl2N3O4S2.C22H16BrCl2N3O4S2/c29-23-15-19(14-21(35)17-40(37,38)27-9-8-26(30)39-27)4-7-25(23)34-18-32-24-16-20(5-6-22(24)28(34)36)31-10-13-33-11-2-1-3-12-33;1-30(2)10-9-28-17-4-5-19-21(13-17)29-15-31(25(19)33)22-6-3-16(12-20(22)26)11-18(32)14-37(34,35)24-8-7-23(27)36-24;26-20-10-16(9-18(31)13-36(33,34)24-8-7-23(27)35-24)3-6-22(20)30-14-29-21-11-17(28-12-15-1-2-15)4-5-19(21)25(30)32;1-2-9-27-16-4-5-18-20(12-16)28-14-29(24(18)31)21-6-3-15(11-19(21)25)10-17(30)13-35(32,33)23-8-7-22(26)34-23;1-26-18-9-17-14(8-15(18)23)22(30)28(11-27-17)19-3-2-12(7-16(19)24)6-13(29)10-34(31,32)21-5-4-20(25)33-21/h4-9,15-16,18,31H,1-3,10-14,17H2;3-8,12-13,15,28H,9-11,14H2,1-2H3;3-8,10-11,14-15,28H,1-2,9,12-13H2;3-8,11-12,14,27H,2,9-10,13H2,1H3;2-5,7-9,11,26H,6,10H2,1H3
InChIKeyVKOFSYHHJCGUOD-UHFFFAOYSA-N
XLogP25.02
TPSA497.13 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds45
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002913.45
LogP ≤ 525.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one (CID 161324276) is 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one is CCCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CN(C)CCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1cc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.O=C(Cc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one?
The InChIKey is VKOFSYHHJCGUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O4S2.C25H24Cl2N4O4S2.C25H21Cl2N3O4S2.C24H21Cl2N3O4S2.C22H16BrCl2N3O4S2/c29-23-15-19(14-21(35)17-40(37,38)27-9-8-26(30)39-27)4-7-25(23)34-18-32-24-16-20(5-6-22(24)28(34)36)31-10-13-33-11-2-1-3-12-33;1-30(2)10-9-28-17-4-5-19-21(13-17)29-15-31(25(19)33)22-6-3-16(12-20(22)26)11-18(32)14-37(34,35)24-8-7-23(27)36-24;26-20-10-16(9-18(31)13-36(33,34)24-8-7-23(27)35-24)3-6-22(20)30-14-29-21-11-17(28-12-15-1-2-15)4-5-19(21)25(30)32;1-2-9-27-16-4-5-18-20(12-16)28-14-29(24(18)31)21-6-3-15(11-19(21)25)10-17(30)13-35(32,33)23-8-7-22(26)34-23;1-26-18-9-17-14(8-15(18)23)22(30)28(11-27-17)19-3-2-12(7-16(19)24)6-13(29)10-34(31,32)21-5-4-20(25)33-21/h4-9,15-16,18,31H,1-3,10-14,17H2;3-8,12-13,15,28H,9-11,14H2,1-2H3;3-8,10-11,14-15,28H,1-2,9,12-13H2;3-8,11-12,14,27H,2,9-10,13H2,1H3;2-5,7-9,11,26H,6,10H2,1H3.
What are the key properties of 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one?
6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one has a molecular weight of 2913.45 g/mol, XLogP of 25.02, 45 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylmethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-[2-(dimethylamino)ethylamino]quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(propylamino)quinazolin-4-one is sourced from PubChem (CID 161324276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).