3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one

C98H89Cl4N19O17S8 — CID 158795557

About 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one

3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one (PubChem CID 158795557) has the molecular formula C98H89Cl4N19O17S8 and a molecular weight of 2203.25 g/mol. Its IUPAC name is 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one.

Molecular Properties

• Compound Name: 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
• PubChem CID: 158795557
• Molecular Formula: C98H89Cl4N19O17S8
• Molecular Weight: 2203.25 g/mol
• Exact Mass: 2199.32
• IUPAC Name: 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
• SMILES: CN1CCN=C1c1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc4c(cc3c2=O)CCN4)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H26ClN5O5S2.C26H26ClN5O4S2.C24H20ClN5O4S2.C22H17ClN4O4S2/c27-23-4-6-25(38-23)39(35,36)16-20(33)13-18-1-5-24(29-15-18)32-17-30-22-14-19(2-3-21(22)26(32)34)28-7-8-31-9-11-37-12-10-31;27-23-6-8-25(37-23)38(35,36)16-20(33)13-18-3-7-24(29-15-18)32-17-30-22-14-19(4-5-21(22)26(32)34)28-9-12-31-10-1-2-11-31;1-29-9-8-26-23(29)16-3-4-18-19(11-16)28-14-30(24(18)32)21-6-2-15(12-27-21)10-17(31)13-36(33,34)22-7-5-20(25)35-22;23-19-2-4-21(32-19)33(30,31)11-15(28)7-13-1-3-20(25-10-13)27-12-26-18-9-17-14(5-6-24-17)8-16(18)22(27)29/h1-6,14-15,17,28H,7-13,16H2;3-8,14-15,17,28H,1-2,9-13,16H2;2-7,11-12,14H,8-10,13H2,1H3;1-4,8-10,12,24H,5-7,11H2
• InChIKey: ISUYHMULQVRMMI-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 463.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2203.25
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?

The IUPAC name of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one (CID 158795557) is 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one.

What is the SMILES notation for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?

The canonical SMILES for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc4c(cc3c2=O)CCN4)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?

The InChIKey is ISUYHMULQVRMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O5S2.C26H26ClN5O4S2.C24H20ClN5O4S2.C22H17ClN4O4S2/c27-23-4-6-25(38-23)39(35,36)16-20(33)13-18-1-5-24(29-15-18)32-17-30-22-14-19(2-3-21(22)26(32)34)28-7-8-31-9-11-37-12-10-31;27-23-6-8-25(37-23)38(35,36)16-20(33)13-18-3-7-24(29-15-18)32-17-30-22-14-19(4-5-21(22)26(32)34)28-9-12-31-10-1-2-11-31;1-29-9-8-26-23(29)16-3-4-18-19(11-16)28-14-30(24(18)32)21-6-2-15(12-27-21)10-17(31)13-36(33,34)22-7-5-20(25)35-22;23-19-2-4-21(32-19)33(30,31)11-15(28)7-13-1-3-20(25-10-13)27-12-26-18-9-17-14(5-6-24-17)8-16(18)22(27)29/h1-6,14-15,17,28H,7-13,16H2;3-8,14-15,17,28H,1-2,9-13,16H2;2-7,11-12,14H,8-10,13H2,1H3;1-4,8-10,12,24H,5-7,11H2.

What are the key properties of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?

3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one has a molecular weight of 2203.25 g/mol, XLogP of 12.24, 33 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one is sourced from PubChem (CID 158795557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).