ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane

C86H111Cl3N12O13 — CID 157058736

About ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane

ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane (PubChem CID 157058736) has the molecular formula C86H111Cl3N12O13 and a molecular weight of 1627.26 g/mol. Its IUPAC name is ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane.

Molecular Properties

• Compound Name: ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
• PubChem CID: 157058736
• Molecular Formula: C86H111Cl3N12O13
• Molecular Weight: 1627.26 g/mol
• Exact Mass: 1624.75
• IUPAC Name: ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
• SMILES: C.C.C.CCOC(=O)c1c(OCCCN(C)C)nc2ccc(C)cc2c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.CCOC(=O)c1c(OCCCN(C)C)nc2ccc(Cl)cc2c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.CCOC(=O)c1c(OCCCN(C)C)nc2ccccc2c1N1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C29H35ClN4O4.C28H32Cl2N4O4.C26H32N4O5.3CH4/c1-5-37-29(36)25-26(33-14-16-34(17-15-33)28(35)21-8-10-22(30)11-9-21)23-19-20(2)7-12-24(23)31-27(25)38-18-6-13-32(3)4;1-4-37-28(36)24-25(33-13-15-34(16-14-33)27(35)19-6-8-20(29)9-7-19)22-18-21(30)10-11-23(22)31-26(24)38-17-5-12-32(2)3;1-4-33-26(32)22-23(29-13-15-30(16-14-29)25(31)21-11-7-17-34-21)19-9-5-6-10-20(19)27-24(22)35-18-8-12-28(2)3;;;/h7-12,19H,5-6,13-18H2,1-4H3;6-11,18H,4-5,12-17H2,1-3H3;5-7,9-11,17H,4,8,12-16,18H2,1-3H3;3*1H4
• InChIKey: ABBKGJJVZRZMMU-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 238.77 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.26
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?

The IUPAC name of ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane (CID 157058736) is ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane.

What is the SMILES notation for ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?

The canonical SMILES for ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane is C.C.C.CCOC(=O)c1c(OCCCN(C)C)nc2ccc(C)cc2c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.CCOC(=O)c1c(OCCCN(C)C)nc2ccc(Cl)cc2c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.CCOC(=O)c1c(OCCCN(C)C)nc2ccccc2c1N1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?

The InChIKey is ABBKGJJVZRZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O4.C28H32Cl2N4O4.C26H32N4O5.3CH4/c1-5-37-29(36)25-26(33-14-16-34(17-15-33)28(35)21-8-10-22(30)11-9-21)23-19-20(2)7-12-24(23)31-27(25)38-18-6-13-32(3)4;1-4-37-28(36)24-25(33-13-15-34(16-14-33)27(35)19-6-8-20(29)9-7-19)22-18-21(30)10-11-23(22)31-26(24)38-17-5-12-32(2)3;1-4-33-26(32)22-23(29-13-15-30(16-14-29)25(31)21-11-7-17-34-21)19-9-5-6-10-20(19)27-24(22)35-18-8-12-28(2)3;;;/h7-12,19H,5-6,13-18H2,1-4H3;6-11,18H,4-5,12-17H2,1-3H3;5-7,9-11,17H,4,8,12-16,18H2,1-3H3;3*1H4.

What are the key properties of ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?

ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane has a molecular weight of 1627.26 g/mol, XLogP of 14.88, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]-6-methylquinoline-3-carboxylate;ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[3-(dimethylamino)propoxy]quinoline-3-carboxylate;ethyl 2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane is sourced from PubChem (CID 157058736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).