1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid

C107H92Cl2F2N24O8 — CID 158292231

About 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid

1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid (PubChem CID 158292231) has the molecular formula C107H92Cl2F2N24O8 and a molecular weight of 1950.97 g/mol. Its IUPAC name is 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
• PubChem CID: 158292231
• Molecular Formula: C107H92Cl2F2N24O8
• Molecular Weight: 1950.97 g/mol
• Exact Mass: 1948.69
• IUPAC Name: 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
• SMILES: CC(=O)c1ccc2c(c1)nc(Nc1cccc(C)c1)c1nc(N)ncc12.CC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(CC(C)C)ncc12.CC(F)(F)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CC4)nc23)c1.CCNc1ncc2c(n1)c(Nc1cccc(C)c1)nc1cc(C(=O)O)ccc12.CNc1ncc2c(n1)c(Nc1ccc(C)c(Cl)c1)nc1cc(C(=O)O)ccc12
• InChI: InChI=1S/C23H21ClN4O.C23H19F2N5O2.C21H19N5O2.C20H16ClN5O2.C20H17N5O/c1-13(2)9-21-25-12-19-18-8-7-15(14(3)29)10-20(18)27-23(22(19)28-21)26-17-6-4-5-16(24)11-17;1-23(24,25)13-3-2-4-15(10-13)27-20-19-17(11-26-22(30-19)28-14-6-7-14)16-8-5-12(21(31)32)9-18(16)29-20;1-3-22-21-23-11-16-15-8-7-13(20(27)28)10-17(15)25-19(18(16)26-21)24-14-6-4-5-12(2)9-14;1-10-3-5-12(8-15(10)21)24-18-17-14(9-23-20(22-2)26-17)13-6-4-11(19(27)28)7-16(13)25-18;1-11-4-3-5-14(8-11)23-19-18-16(10-22-20(21)25-18)15-7-6-13(12(2)26)9-17(15)24-19/h4-8,10-13H,9H2,1-3H3,(H,26,27);2-5,8-11,14H,6-7H2,1H3,(H,27,29)(H,31,32)(H,26,28,30);4-11H,3H2,1-2H3,(H,24,25)(H,27,28)(H,22,23,26);3-9H,1-2H3,(H,24,25)(H,27,28)(H,22,23,26);3-10H,1-2H3,(H,23,24)(H2,21,22,25)
• InChIKey: GLMLGLWKCLFVEO-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 461.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.97
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The IUPAC name of 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid (CID 158292231) is 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid.

What is the SMILES notation for 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The canonical SMILES for 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid is CC(=O)c1ccc2c(c1)nc(Nc1cccc(C)c1)c1nc(N)ncc12.CC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(CC(C)C)ncc12.CC(F)(F)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CC4)nc23)c1.CCNc1ncc2c(n1)c(Nc1cccc(C)c1)nc1cc(C(=O)O)ccc12.CNc1ncc2c(n1)c(Nc1ccc(C)c(Cl)c1)nc1cc(C(=O)O)ccc12.

What is the InChIKey of 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The InChIKey is GLMLGLWKCLFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O.C23H19F2N5O2.C21H19N5O2.C20H16ClN5O2.C20H17N5O/c1-13(2)9-21-25-12-19-18-8-7-15(14(3)29)10-20(18)27-23(22(19)28-21)26-17-6-4-5-16(24)11-17;1-23(24,25)13-3-2-4-15(10-13)27-20-19-17(11-26-22(30-19)28-14-6-7-14)16-8-5-12(21(31)32)9-18(16)29-20;1-3-22-21-23-11-16-15-8-7-13(20(27)28)10-17(15)25-19(18(16)26-21)24-14-6-4-5-12(2)9-14;1-10-3-5-12(8-15(10)21)24-18-17-14(9-23-20(22-2)26-17)13-6-4-11(19(27)28)7-16(13)25-18;1-11-4-3-5-14(8-11)23-19-18-16(10-22-20(21)25-18)15-7-6-13(12(2)26)9-17(15)24-19/h4-8,10-13H,9H2,1-3H3,(H,26,27);2-5,8-11,14H,6-7H2,1H3,(H,27,29)(H,31,32)(H,26,28,30);4-11H,3H2,1-2H3,(H,24,25)(H,27,28)(H,22,23,26);3-9H,1-2H3,(H,24,25)(H,27,28)(H,22,23,26);3-10H,1-2H3,(H,23,24)(H2,21,22,25).

What are the key properties of 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid?

1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 1950.97 g/mol, XLogP of 24.28, 23 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-5-(3-methylanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-chloro-4-methylanilino)-3-(methylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(ethylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 158292231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).