2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one

C95H86F2N16O11S2 — CID 158834298

About 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one

2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one (PubChem CID 158834298) has the molecular formula C95H86F2N16O11S2 and a molecular weight of 1729.96 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one
• PubChem CID: 158834298
• Molecular Formula: C95H86F2N16O11S2
• Molecular Weight: 1729.96 g/mol
• Exact Mass: 1728.61
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one
• SMILES: CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)C(C)(C)S(=O)(=O)C3)cc1.COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.O=C1CC(N2CCOCC2)Oc2c1cccc2-c1ccccc1
• InChI: InChI=1S/C30H23N5O.C25H17F2N5O3S.C21H27N5O4S.C19H19NO3/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16;1-4-22-20(27)23-15-7-5-14(6-8-15)18-24-17-16(13-31(28,29)21(17,2)3)19(25-18)26-9-11-30-12-10-26;21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h4-17H,1-3H3;2-14,32H,1H3;5-8H,4,9-13H2,1-3H3,(H2,22,23,27);1-8,18H,9-13H2
• InChIKey: IXKZRVPDPZDZRF-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 335.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.96
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one?

The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one (CID 158834298) is 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one.

What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one?

The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one is CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)C(C)(C)S(=O)(=O)C3)cc1.COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.O=C1CC(N2CCOCC2)Oc2c1cccc2-c1ccccc1.

What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one?

The InChIKey is IXKZRVPDPZDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O.C25H17F2N5O3S.C21H27N5O4S.C19H19NO3/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16;1-4-22-20(27)23-15-7-5-14(6-8-15)18-24-17-16(13-31(28,29)21(17,2)3)19(25-18)26-9-11-30-12-10-26;21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h4-17H,1-3H3;2-14,32H,1H3;5-8H,4,9-13H2,1-3H3,(H2,22,23,27);1-8,18H,9-13H2.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one?

2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 1729.96 g/mol, XLogP of 16.00, 15 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-(7,7-dimethyl-4-morpholin-4-yl-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 158834298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).