1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea

C95H87Cl4N23O16S8 — CID 159018526

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
SMILESCN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc4c(cc3c2=O)CCN4)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C26H27ClN6O4S2.C25H25ClN6O4S2.C23H19ClN6O4S2.C21H16ClN5O4S2/c27-23-10-11-24(38-23)39(36,37)31-26(35)30-18-4-7-20(8-5-18)33-17-29-22-16-19(6-9-21(22)25(33)34)28-12-15-32-13-2-1-3-14-32;26-22-9-10-23(37-22)38(35,36)30-25(34)29-17-3-6-19(7-4-17)32-16-28-21-15-18(5-8-20(21)24(32)33)27-11-14-31-12-1-2-13-31;1-29-11-10-25-21(29)14-2-7-17-18(12-14)26-13-30(22(17)31)16-5-3-15(4-6-16)27-23(32)28-36(33,34)20-9-8-19(24)35-20;22-18-5-6-19(32-18)33(30,31)26-21(29)25-13-1-3-14(4-2-13)27-11-24-17-10-16-12(7-8-23-16)9-15(17)20(27)28/h4-11,16-17,28H,1-3,12-15H2,(H2,30,31,35);3-10,15-16,27H,1-2,11-14H2,(H2,29,30,34);2-9,12-13H,10-11H2,1H3,(H2,27,28,32);1-6,9-11,23H,7-8H2,(H2,25,26,29)
InChIKeyJTJXCFPYNDGUBQ-UHFFFAOYSA-N
MW2205.23 g/mol
LogP15.51
Rot. Bonds25

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea (PubChem CID 159018526) has the molecular formula C95H87Cl4N23O16S8 and a molecular weight of 2205.23 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
PubChem CID159018526
Molecular FormulaC95H87Cl4N23O16S8
Molecular Weight2205.23 g/mol
Exact Mass2201.32
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
SMILESCN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc4c(cc3c2=O)CCN4)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C26H27ClN6O4S2.C25H25ClN6O4S2.C23H19ClN6O4S2.C21H16ClN5O4S2/c27-23-10-11-24(38-23)39(36,37)31-26(35)30-18-4-7-20(8-5-18)33-17-29-22-16-19(6-9-21(22)25(33)34)28-12-15-32-13-2-1-3-14-32;26-22-9-10-23(37-22)38(35,36)30-25(34)29-17-3-6-19(7-4-17)32-16-28-21-15-18(5-8-20(21)24(32)33)27-11-14-31-12-1-2-13-31;1-29-11-10-25-21(29)14-2-7-17-18(12-14)26-13-30(22(17)31)16-5-3-15(4-6-16)27-23(32)28-36(33,34)20-9-8-19(24)35-20;22-18-5-6-19(32-18)33(30,31)26-21(29)25-13-1-3-14(4-2-13)27-11-24-17-10-16-12(7-8-23-16)9-15(17)20(27)28/h4-11,16-17,28H,1-3,12-15H2,(H2,30,31,35);3-10,15-16,27H,1-2,11-14H2,(H2,29,30,34);2-9,12-13H,10-11H2,1H3,(H2,27,28,32);1-6,9-11,23H,7-8H2,(H2,25,26,29)
InChIKeyJTJXCFPYNDGUBQ-UHFFFAOYSA-N
XLogP15.51
TPSA498.81 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002205.23
LogP ≤ 515.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea (CID 159018526) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc4c(cc3c2=O)CCN4)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The InChIKey is JTJXCFPYNDGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4S2.C25H25ClN6O4S2.C23H19ClN6O4S2.C21H16ClN5O4S2/c27-23-10-11-24(38-23)39(36,37)31-26(35)30-18-4-7-20(8-5-18)33-17-29-22-16-19(6-9-21(22)25(33)34)28-12-15-32-13-2-1-3-14-32;26-22-9-10-23(37-22)38(35,36)30-25(34)29-17-3-6-19(7-4-17)32-16-28-21-15-18(5-8-20(21)24(32)33)27-11-14-31-12-1-2-13-31;1-29-11-10-25-21(29)14-2-7-17-18(12-14)26-13-30(22(17)31)16-5-3-15(4-6-16)27-23(32)28-36(33,34)20-9-8-19(24)35-20;22-18-5-6-19(32-18)33(30,31)26-21(29)25-13-1-3-14(4-2-13)27-11-24-17-10-16-12(7-8-23-16)9-15(17)20(27)28/h4-11,16-17,28H,1-3,12-15H2,(H2,30,31,35);3-10,15-16,27H,1-2,11-14H2,(H2,29,30,34);2-9,12-13H,10-11H2,1H3,(H2,27,28,32);1-6,9-11,23H,7-8H2,(H2,25,26,29).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea has a molecular weight of 2205.23 g/mol, XLogP of 15.51, 25 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 159018526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).