1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone

C130H118Cl3F7N24O7 — CID 157064023

About 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone

1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone (PubChem CID 157064023) has the molecular formula C130H118Cl3F7N24O7 and a molecular weight of 2367.88 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone
• PubChem CID: 157064023
• Molecular Formula: C130H118Cl3F7N24O7
• Molecular Weight: 2367.88 g/mol
• Exact Mass: 2364.86
• IUPAC Name: 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone
• SMILES: CC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1cc(CCCCN3CCCCC3C)ncc12.CC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(CCc3ccccn3)ncc12.CC(F)(F)c1cccc(Nc2nc3cc(C(=O)CC4CC4)ccc3c3cnc(NC4CC4)nc23)c1.CC(F)(F)c1cccc(Nc2nc3cc(C(N)=O)ccc3c3cnc(NC4CC4)nc23)c1.COC(CCc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(C)=O)ccc12)OC
• InChI: InChI=1S/C30H32ClFN4O.C27H25F2N5O.C26H19ClFN5O.C24H22ClFN4O3.C23H20F2N6O/c1-19-7-3-5-13-36(19)14-6-4-8-22-16-25-26(18-33-22)24-11-9-21(20(2)37)15-29(24)35-30(25)34-23-10-12-28(32)27(31)17-23;1-27(28,29)17-3-2-4-19(13-17)31-25-24-21(14-30-26(34-24)32-18-8-9-18)20-10-7-16(12-22(20)33-25)23(35)11-15-5-6-15;1-15(34)16-5-8-19-20-14-30-24(10-7-17-4-2-3-11-29-17)33-25(20)26(32-23(19)12-16)31-18-6-9-22(28)21(27)13-18;1-13(31)14-4-6-16-17-12-27-21(8-9-22(32-2)33-3)30-23(17)24(29-20(16)10-14)28-15-5-7-19(26)18(25)11-15;1-23(24,25)13-3-2-4-15(10-13)28-21-19-17(11-27-22(31-19)29-14-6-7-14)16-8-5-12(20(26)32)9-18(16)30-21/h9-12,15-19H,3-8,13-14H2,1-2H3,(H,34,35);2-4,7,10,12-15,18H,5-6,8-9,11H2,1H3,(H,31,33)(H,30,32,34);2-6,8-9,11-14H,7,10H2,1H3,(H,31,32);4-7,10-12,22H,8-9H2,1-3H3,(H,28,29);2-5,8-11,14H,6-7H2,1H3,(H2,26,32)(H,28,30)(H,27,29,31)
• InChIKey: ABQVQASBWHHXEH-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 410.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.88
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone?

The IUPAC name of 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone (CID 157064023) is 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone.

What is the SMILES notation for 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone?

The canonical SMILES for 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone is CC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1cc(CCCCN3CCCCC3C)ncc12.CC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(CCc3ccccn3)ncc12.CC(F)(F)c1cccc(Nc2nc3cc(C(=O)CC4CC4)ccc3c3cnc(NC4CC4)nc23)c1.CC(F)(F)c1cccc(Nc2nc3cc(C(N)=O)ccc3c3cnc(NC4CC4)nc23)c1.COC(CCc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(C)=O)ccc12)OC.

What is the InChIKey of 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone?

The InChIKey is ABQVQASBWHHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN4O.C27H25F2N5O.C26H19ClFN5O.C24H22ClFN4O3.C23H20F2N6O/c1-19-7-3-5-13-36(19)14-6-4-8-22-16-25-26(18-33-22)24-11-9-21(20(2)37)15-29(24)35-30(25)34-23-10-12-28(32)27(31)17-23;1-27(28,29)17-3-2-4-19(13-17)31-25-24-21(14-30-26(34-24)32-18-8-9-18)20-10-7-16(12-22(20)33-25)23(35)11-15-5-6-15;1-15(34)16-5-8-19-20-14-30-24(10-7-17-4-2-3-11-29-17)33-25(20)26(32-23(19)12-16)31-18-6-9-22(28)21(27)13-18;1-13(31)14-4-6-16-17-12-27-21(8-9-22(32-2)33-3)30-23(17)24(29-20(16)10-14)28-15-5-7-19(26)18(25)11-15;1-23(24,25)13-3-2-4-15(10-13)28-21-19-17(11-27-22(31-19)29-14-6-7-14)16-8-5-12(20(26)32)9-18(16)30-21/h9-12,15-19H,3-8,13-14H2,1-2H3,(H,34,35);2-4,7,10,12-15,18H,5-6,8-9,11H2,1H3,(H,31,33)(H,30,32,34);2-6,8-9,11-14H,7,10H2,1H3,(H,31,32);4-7,10-12,22H,8-9H2,1-3H3,(H,28,29);2-5,8-11,14H,6-7H2,1H3,(H2,26,32)(H,28,30)(H,27,29,31).

What are the key properties of 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone?

1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone has a molecular weight of 2367.88 g/mol, XLogP of 30.58, 36 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-chloro-4-fluoroanilino)-3-(3,3-dimethoxypropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-[4-(2-methylpiperidin-1-yl)butyl]benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3-chloro-4-fluoroanilino)-3-(2-pyridin-2-ylethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone is sourced from PubChem (CID 157064023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).