7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide

C147H144Cl5F13N12O19 — CID 164963302

About 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide

7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 164963302) has the molecular formula C147H144Cl5F13N12O19 and a molecular weight of 2807.07 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide
• PubChem CID: 164963302
• Molecular Formula: C147H144Cl5F13N12O19
• Molecular Weight: 2807.07 g/mol
• Exact Mass: 2802.89
• IUPAC Name: 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide
• SMILES: C#Cc1ccc(C(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)Oc1ccc(C(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)Oc1ccc(C(=O)NCC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)c1ccc(OCC(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)c1ccc(OCC(=O)NCC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1
• InChI: InChI=1S/C30H31ClF3N3O4.C30H30ClF3N2O4.C29H29ClF3N3O4.C29H28ClF3N2O4.C29H26ClFN2O3/c1-30(33,34)18-4-10-21(11-5-18)41-16-27(38)35-14-17-2-6-19(7-3-17)36-29(40)23-15-37(20-8-9-20)26-13-24(31)25(32)12-22(26)28(23)39;1-30(33,34)18-4-10-22(11-5-18)40-16-21(37)12-17-2-6-19(7-3-17)35-29(39)24-15-36(20-8-9-20)27-14-25(31)26(32)13-23(27)28(24)38;1-29(32,33)40-20-10-4-17(5-11-20)27(38)34-14-16-2-6-18(7-3-16)35-28(39)22-15-36(19-8-9-19)25-13-23(30)24(31)12-21(25)26(22)37;1-29(32,33)39-20-10-4-17(5-11-20)26(36)12-16-2-6-18(7-3-16)34-28(38)22-15-35(19-8-9-19)25-14-23(30)24(31)13-21(25)27(22)37;1-2-17-3-7-19(8-4-17)27(34)13-18-5-9-20(10-6-18)32-29(36)23-16-33(21-11-12-21)26-15-24(30)25(31)14-22(26)28(23)35/h4-5,10-13,15,17,19-20H,2-3,6-9,14,16H2,1H3,(H,35,38)(H,36,40);4-5,10-11,13-15,17,19-20H,2-3,6-9,12,16H2,1H3,(H,35,39);4-5,10-13,15-16,18-19H,2-3,6-9,14H2,1H3,(H,34,38)(H,35,39);4-5,10-11,13-16,18-19H,2-3,6-9,12H2,1H3,(H,34,38);1,3-4,7-8,14-16,18,20-21H,5-6,9-13H2,(H,32,36)
• InChIKey: CDBFEJOSOOVCSR-UHFFFAOYSA-N
• XLogP: 30.48
• TPSA: 401.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2807.07
LogP ≤ 5	30.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide?

The IUPAC name of 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide (CID 164963302) is 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide.

What is the SMILES notation for 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide?

The canonical SMILES for 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide is C#Cc1ccc(C(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)Oc1ccc(C(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)Oc1ccc(C(=O)NCC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)c1ccc(OCC(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.CC(F)(F)c1ccc(OCC(=O)NCC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.

What is the InChIKey of 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide?

The InChIKey is CDBFEJOSOOVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF3N3O4.C30H30ClF3N2O4.C29H29ClF3N3O4.C29H28ClF3N2O4.C29H26ClFN2O3/c1-30(33,34)18-4-10-21(11-5-18)41-16-27(38)35-14-17-2-6-19(7-3-17)36-29(40)23-15-37(20-8-9-20)26-13-24(31)25(32)12-22(26)28(23)39;1-30(33,34)18-4-10-22(11-5-18)40-16-21(37)12-17-2-6-19(7-3-17)35-29(39)24-15-36(20-8-9-20)27-14-25(31)26(32)13-23(27)28(24)38;1-29(32,33)40-20-10-4-17(5-11-20)27(38)34-14-16-2-6-18(7-3-16)35-28(39)22-15-36(19-8-9-19)25-13-23(30)24(31)12-21(25)26(22)37;1-29(32,33)39-20-10-4-17(5-11-20)26(36)12-16-2-6-18(7-3-16)34-28(38)22-15-35(19-8-9-19)25-14-23(30)24(31)13-21(25)27(22)37;1-2-17-3-7-19(8-4-17)27(34)13-18-5-9-20(10-6-18)32-29(36)23-16-33(21-11-12-21)26-15-24(30)25(31)14-22(26)28(23)35/h4-5,10-13,15,17,19-20H,2-3,6-9,14,16H2,1H3,(H,35,38)(H,36,40);4-5,10-11,13-15,17,19-20H,2-3,6-9,12,16H2,1H3,(H,35,39);4-5,10-13,15-16,18-19H,2-3,6-9,14H2,1H3,(H,34,38)(H,35,39);4-5,10-11,13-16,18-19H,2-3,6-9,12H2,1H3,(H,34,38);1,3-4,7-8,14-16,18,20-21H,5-6,9-13H2,(H,32,36).

What are the key properties of 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide?

7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 2807.07 g/mol, XLogP of 30.48, 40 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 164963302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).