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-piperidin-1-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one

C103H100Cl4N20O17S8 — CID 158331653

IUPAC3-[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-piperidin-1-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
SMILESCN1CCN=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(NCCN4CCCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H28ClN5O4S2.C26H26ClN5O5S2.C26H26ClN5O4S2.C24H20ClN5O4S2/c28-24-7-9-26(38-24)39(36,37)17-21(34)14-19-4-8-25(30-16-19)33-18-31-23-15-20(5-6-22(23)27(33)35)29-10-13-32-11-2-1-3-12-32;27-23-4-6-25(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/h4-9,15-16,18,29H,1-3,10-14,17H2;1-6,14-15,17,28H,7-13,16H2;3-8,14-15,17,28H,1-2,9-13,16H2;2-7,11-12,14H,8-10,13H2,1H3
InChIKeyGQBXZZTYFWSEBX-UHFFFAOYSA-N
MW2288.40 g/mol
LogP13.17
Rot. Bonds37

About 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-piperidin-1-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-(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-piperidin-1-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 158331653) has the molecular formula C103H100Cl4N20O17S8 and a molecular weight of 2288.40 g/mol. Its IUPAC name is 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-piperidin-1-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 Name3-[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-piperidin-1-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 CID158331653
Molecular FormulaC103H100Cl4N20O17S8
Molecular Weight2288.40 g/mol
Exact Mass2284.41
IUPAC Name3-[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-piperidin-1-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
SMILESCN1CCN=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(NCCN4CCCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H28ClN5O4S2.C26H26ClN5O5S2.C26H26ClN5O4S2.C24H20ClN5O4S2/c28-24-7-9-26(38-24)39(36,37)17-21(34)14-19-4-8-25(30-16-19)33-18-31-23-15-20(5-6-22(23)27(33)35)29-10-13-32-11-2-1-3-12-32;27-23-4-6-25(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/h4-9,15-16,18,29H,1-3,10-14,17H2;1-6,14-15,17,28H,7-13,16H2;3-8,14-15,17,28H,1-2,9-13,16H2;2-7,11-12,14H,8-10,13H2,1H3
InChIKeyGQBXZZTYFWSEBX-UHFFFAOYSA-N
XLogP13.17
TPSA466.60 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.40
LogP ≤ 513.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze 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-piperidin-1-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-piperidin-1-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-(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-piperidin-1-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 158331653) is 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-piperidin-1-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-(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-piperidin-1-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-(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-piperidin-1-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(NCCN4CCCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)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-(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-piperidin-1-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 GQBXZZTYFWSEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O4S2.C26H26ClN5O5S2.C26H26ClN5O4S2.C24H20ClN5O4S2/c28-24-7-9-26(38-24)39(36,37)17-21(34)14-19-4-8-25(30-16-19)33-18-31-23-15-20(5-6-22(23)27(33)35)29-10-13-32-11-2-1-3-12-32;27-23-4-6-25(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/h4-9,15-16,18,29H,1-3,10-14,17H2;1-6,14-15,17,28H,7-13,16H2;3-8,14-15,17,28H,1-2,9-13,16H2;2-7,11-12,14H,8-10,13H2,1H3.
What are the key properties of 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-piperidin-1-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-(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-piperidin-1-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 2288.40 g/mol, XLogP of 13.17, 37 rotatable bonds, 3 hydrogen bond donors, and 41 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-(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-piperidin-1-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 158331653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).