1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid

C129H102F6N22O8 — CID 159702360

About 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid

1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid (PubChem CID 159702360) has the molecular formula C129H102F6N22O8 and a molecular weight of 2202.37 g/mol. Its IUPAC name is 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
• PubChem CID: 159702360
• Molecular Formula: C129H102F6N22O8
• Molecular Weight: 2202.37 g/mol
• Exact Mass: 2200.82
• IUPAC Name: 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
• SMILES: CC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(Cc3ccccc3)ncc12.CC1=NCC(Cc2cc3c(Nc4ccc(F)c(C)c4)nc4cc(C(=O)O)ccc4c3cn2)=C1.CCC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(CC3CC3)ncc12.Cc1cc(Nc2nc3cc(C(=O)O)ccc3c3cnc(CCc4cccnc4)nc23)ccc1F.Cc1cc(Nc2nc3cc(C(=O)O)ccc3c3cnc(CCc4ccncc4)nc23)ccc1F
• InChI: InChI=1S/2C26H20FN5O2.C26H21FN4O2.C26H20N4O.C25H21F3N4O/c1-15-12-18(4-6-21(15)27)30-25-24-20(19-5-3-17(26(33)34)13-22(19)31-25)14-29-23(32-24)7-2-16-8-10-28-11-9-16;1-15-11-18(6-8-21(15)27)30-25-24-20(19-7-5-17(26(33)34)12-22(19)31-25)14-29-23(32-24)9-4-16-3-2-10-28-13-16;1-14-7-18(4-6-23(14)27)30-25-21-11-19(9-16-8-15(2)28-12-16)29-13-22(21)20-5-3-17(26(32)33)10-24(20)31-25;1-17(31)19-12-13-21-22-16-27-24(14-18-8-4-2-5-9-18)30-25(22)26(29-23(21)15-19)28-20-10-6-3-7-11-20;1-2-21(33)15-8-9-18-19-13-29-22(10-14-6-7-14)32-23(19)24(31-20(18)11-15)30-17-5-3-4-16(12-17)25(26,27)28/h3-6,8-14H,2,7H2,1H3,(H,30,31)(H,33,34);2-3,5-8,10-14H,4,9H2,1H3,(H,30,31)(H,33,34);3-8,10-11,13H,9,12H2,1-2H3,(H,30,31)(H,32,33);2-13,15-16H,14H2,1H3,(H,28,29);3-5,8-9,11-14H,2,6-7,10H2,1H3,(H,30,31)
• InChIKey: MXUBHJBIESZKGK-UHFFFAOYSA-N
• XLogP: 28.31
• TPSA: 424.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.37
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The IUPAC name of 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid (CID 159702360) is 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid.

What is the SMILES notation for 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The canonical SMILES for 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid is CC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(Cc3ccccc3)ncc12.CC1=NCC(Cc2cc3c(Nc4ccc(F)c(C)c4)nc4cc(C(=O)O)ccc4c3cn2)=C1.CCC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(CC3CC3)ncc12.Cc1cc(Nc2nc3cc(C(=O)O)ccc3c3cnc(CCc4cccnc4)nc23)ccc1F.Cc1cc(Nc2nc3cc(C(=O)O)ccc3c3cnc(CCc4ccncc4)nc23)ccc1F.

What is the InChIKey of 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?

The InChIKey is MXUBHJBIESZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20FN5O2.C26H21FN4O2.C26H20N4O.C25H21F3N4O/c1-15-12-18(4-6-21(15)27)30-25-24-20(19-5-3-17(26(33)34)13-22(19)31-25)14-29-23(32-24)7-2-16-8-10-28-11-9-16;1-15-11-18(6-8-21(15)27)30-25-24-20(19-7-5-17(26(33)34)12-22(19)31-25)14-29-23(32-24)9-4-16-3-2-10-28-13-16;1-14-7-18(4-6-23(14)27)30-25-21-11-19(9-16-8-15(2)28-12-16)29-13-22(21)20-5-3-17(26(32)33)10-24(20)31-25;1-17(31)19-12-13-21-22-16-27-24(14-18-8-4-2-5-9-18)30-25(22)26(29-23(21)15-19)28-20-10-6-3-7-11-20;1-2-21(33)15-8-9-18-19-13-29-22(10-14-6-7-14)32-23(19)24(31-20(18)11-15)30-17-5-3-4-16(12-17)25(26,27)28/h3-6,8-14H,2,7H2,1H3,(H,30,31)(H,33,34);2-3,5-8,10-14H,4,9H2,1H3,(H,30,31)(H,33,34);3-8,10-11,13H,9,12H2,1-2H3,(H,30,31)(H,32,33);2-13,15-16H,14H2,1H3,(H,28,29);3-5,8-9,11-14H,2,6-7,10H2,1H3,(H,30,31).

What are the key properties of 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid?

1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 2202.37 g/mol, XLogP of 28.31, 28 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 159702360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).