4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C137H156N20O19 — CID 159424130

About 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159424130) has the molecular formula C137H156N20O19 and a molecular weight of 2386.88 g/mol. Its IUPAC name is 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159424130
• Molecular Formula: C137H156N20O19
• Molecular Weight: 2386.88 g/mol
• Exact Mass: 2385.19
• IUPAC Name: 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(=O)C(C)C)C[C@@H]1C.CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(C)C)C[C@@H]1C.CCCn1c(=O)n(C(C)C)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21.COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n(C(C)C)c(=O)n1C(C)c1ccn(C)c1.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C(C)C)c12.COc1cc2c3c(cnc2cc1-c1c(C)noc1C)CC(=O)N3C(C)C
• InChI: InChI=1S/C26H29N5O3.C24H28N4O3.C23H26N2O4.C22H26N4O3.C22H26N2O3.C20H21N3O3/c1-14(2)30-25-19-11-23(33-7)20(24-15(3)28-34-17(24)5)10-21(19)27-12-22(25)31(26(30)32)16(4)18-8-9-29(6)13-18;1-13(2)28-23-17-11-21(29-5)18(22-14(3)27-31-15(22)4)10-19(17)25-12-20(23)26-24(28)16-6-8-30-9-7-16;1-13(2)22(27)24-20-11-14(3)25(15(4)26)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)23(28)29;1-7-8-25-18-11-23-17-9-16(20-13(4)24-29-14(20)5)19(28-6)10-15(17)21(18)26(12(2)3)22(25)27;1-13(2)23-20-11-14(3)24(15(4)25)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)22(26)27;1-10(2)23-18(24)6-13-9-21-16-7-15(19-11(3)22-26-12(19)4)17(25-5)8-14(16)20(13)23/h8-14,16H,1-7H3;10-13,16H,6-9H2,1-5H3;5-10,12-14,20H,11H2,1-4H3,(H,24,27)(H,28,29);9-12H,7-8H2,1-6H3;5-10,12-14,20,23H,11H2,1-4H3,(H,26,27);7-10H,6H2,1-5H3/t;;14-,20+;;14-,20+;/m..0.0./s1
• InChIKey: LQDBRQIOTAHOSU-JXDJSYKHSA-N
• XLogP: 27.18
• TPSA: 455.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2386.88
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 159424130) is 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(=O)C(C)C)C[C@@H]1C.CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(C)C)C[C@@H]1C.CCCn1c(=O)n(C(C)C)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21.COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n(C(C)C)c(=O)n1C(C)c1ccn(C)c1.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C(C)C)c12.COc1cc2c3c(cnc2cc1-c1c(C)noc1C)CC(=O)N3C(C)C.

What is the InChIKey of 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is LQDBRQIOTAHOSU-JXDJSYKHSA-N. The full InChI is InChI=1S/C26H29N5O3.C24H28N4O3.C23H26N2O4.C22H26N4O3.C22H26N2O3.C20H21N3O3/c1-14(2)30-25-19-11-23(33-7)20(24-15(3)28-34-17(24)5)10-21(19)27-12-22(25)31(26(30)32)16(4)18-8-9-29(6)13-18;1-13(2)28-23-17-11-21(29-5)18(22-14(3)27-31-15(22)4)10-19(17)25-12-20(23)26-24(28)16-6-8-30-9-7-16;1-13(2)22(27)24-20-11-14(3)25(15(4)26)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)23(28)29;1-7-8-25-18-11-23-17-9-16(20-13(4)24-29-14(20)5)19(28-6)10-15(17)21(18)26(12(2)3)22(25)27;1-13(2)23-20-11-14(3)24(15(4)25)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)22(26)27;1-10(2)23-18(24)6-13-9-21-16-7-15(19-11(3)22-26-12(19)4)17(25-5)8-14(16)20(13)23/h8-14,16H,1-7H3;10-13,16H,6-9H2,1-5H3;5-10,12-14,20H,11H2,1-4H3,(H,24,27)(H,28,29);9-12H,7-8H2,1-6H3;5-10,12-14,20,23H,11H2,1-4H3,(H,26,27);7-10H,6H2,1-5H3/t;;14-,20+;;14-,20+;/m..0.0./s1.

What are the key properties of 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2386.88 g/mol, XLogP of 27.18, 25 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159424130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).