1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea

C96H83Cl4F4N21O18S8 — CID 157444264

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea (PubChem CID 157444264) has the molecular formula C96H83Cl4F4N21O18S8 and a molecular weight of 2293.19 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea
• PubChem CID: 157444264
• Molecular Formula: C96H83Cl4F4N21O18S8
• Molecular Weight: 2293.19 g/mol
• Exact Mass: 2289.27
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea
• SMILES: O=C(Nc1ccc(-n2cnc3c4c(ccc3c2=O)NCC4)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(C4=NCCO4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCC4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCOCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C27H27ClFN5O4S2.C26H26ClFN6O5S2.C22H15ClFN5O5S2.C21H15ClFN5O4S2/c28-24-11-12-25(39-24)40(37,38)33-27(36)32-19-8-10-23(21(29)14-19)34-16-31-22-15-18(7-9-20(22)26(34)35)30-13-3-6-17-4-1-2-5-17;27-23-6-7-24(40-23)41(37,38)32-26(36)31-18-3-5-22(20(28)14-18)34-16-30-21-15-17(2-4-19(21)25(34)35)29-8-1-9-33-10-12-39-13-11-33;23-18-5-6-19(35-18)36(32,33)28-22(31)27-13-2-4-17(15(24)10-13)29-11-26-16-9-12(20-25-7-8-34-20)1-3-14(16)21(29)30;22-17-5-6-18(33-17)34(31,32)27-21(30)26-11-1-4-16(14(23)9-11)28-10-25-19-12-7-8-24-15(12)3-2-13(19)20(28)29/h7-12,14-17,30H,1-6,13H2,(H2,32,33,36);2-7,14-16,29H,1,8-13H2,(H2,31,32,36);1-6,9-11H,7-8H2,(H2,27,28,31);1-6,9-10,24H,7-8H2,(H2,26,27,30)
• InChIKey: BSANDBYOUWHBSB-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 510.79 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.19
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea (CID 157444264) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea is O=C(Nc1ccc(-n2cnc3c4c(ccc3c2=O)NCC4)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(C4=NCCO4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCC4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCOCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea?

The InChIKey is BSANDBYOUWHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN5O4S2.C26H26ClFN6O5S2.C22H15ClFN5O5S2.C21H15ClFN5O4S2/c28-24-11-12-25(39-24)40(37,38)33-27(36)32-19-8-10-23(21(29)14-19)34-16-31-22-15-18(7-9-20(22)26(34)35)30-13-3-6-17-4-1-2-5-17;27-23-6-7-24(40-23)41(37,38)32-26(36)31-18-3-5-22(20(28)14-18)34-16-30-21-15-17(2-4-19(21)25(34)35)29-8-1-9-33-10-12-39-13-11-33;23-18-5-6-19(35-18)36(32,33)28-22(31)27-13-2-4-17(15(24)10-13)29-11-26-16-9-12(20-25-7-8-34-20)1-3-14(16)21(29)30;22-17-5-6-18(33-17)34(31,32)27-21(30)26-11-1-4-16(14(23)9-11)28-10-25-19-12-7-8-24-15(12)3-2-13(19)20(28)29/h7-12,14-17,30H,1-6,13H2,(H2,32,33,36);2-7,14-16,29H,1,8-13H2,(H2,31,32,36);1-6,9-11H,7-8H2,(H2,27,28,31);1-6,9-10,24H,7-8H2,(H2,26,27,30).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea has a molecular weight of 2293.19 g/mol, XLogP of 17.26, 27 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-(3-cyclopentylpropylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-4-oxoquinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea is sourced from PubChem (CID 157444264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).