4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol

C58H95N3O14 — CID 176927250

About 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol

4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol (PubChem CID 176927250) has the molecular formula C58H95N3O14 and a molecular weight of 1058.40 g/mol. Its IUPAC name is 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol.

Molecular Properties

• Compound Name: 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol
• PubChem CID: 176927250
• Molecular Formula: C58H95N3O14
• Molecular Weight: 1058.40 g/mol
• Exact Mass: 1057.68
• IUPAC Name: 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol
• SMILES: CC1CC(N(C)CCCOc2cnc3ccc(CN4CCc5ccccc54)cc3c2)CC(O)O1.CC1C[C@H](O)OC(C)[C@@H]1O.CC[C@H]1OC(=O)C(C)C[C@H](C)CC(OC)C[C@@H](C)C(=O)C(C)C(O)[C@]1(C)O.CO.CO
• InChI: InChI=1S/C28H35N3O3.C21H38O6.C7H14O3.2CH4O/c1-20-14-24(17-28(32)34-20)30(2)11-5-13-33-25-16-23-15-21(8-9-26(23)29-18-25)19-31-12-10-22-6-3-4-7-27(22)31;1-8-17-21(6,25)19(23)15(5)18(22)13(3)11-16(26-7)10-12(2)9-14(4)20(24)27-17;1-4-3-6(8)10-5(2)7(4)9;2*1-2/h3-4,6-9,15-16,18,20,24,28,32H,5,10-14,17,19H2,1-2H3;12-17,19,23,25H,8-11H2,1-7H3;4-9H,3H2,1-2H3;2*2H,1H3/t;12-,13+,14?,15?,16?,17+,19?,21+;4?,5?,6-,7-;;/m.01../s1
• InChIKey: MFBABYOELLNKNT-KCVYDEHNSA-N
• XLogP: 6.44
• TPSA: 241.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1058.40
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol?

The IUPAC name of 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol (CID 176927250) is 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol.

What is the SMILES notation for 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol?

The canonical SMILES for 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol is CC1CC(N(C)CCCOc2cnc3ccc(CN4CCc5ccccc54)cc3c2)CC(O)O1.CC1C[C@H](O)OC(C)[C@@H]1O.CC[C@H]1OC(=O)C(C)C[C@H](C)CC(OC)C[C@@H](C)C(=O)C(C)C(O)[C@]1(C)O.CO.CO.

What is the InChIKey of 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol?

The InChIKey is MFBABYOELLNKNT-KCVYDEHNSA-N. The full InChI is InChI=1S/C28H35N3O3.C21H38O6.C7H14O3.2CH4O/c1-20-14-24(17-28(32)34-20)30(2)11-5-13-33-25-16-23-15-21(8-9-26(23)29-18-25)19-31-12-10-22-6-3-4-7-27(22)31;1-8-17-21(6,25)19(23)15(5)18(22)13(3)11-16(26-7)10-12(2)9-14(4)20(24)27-17;1-4-3-6(8)10-5(2)7(4)9;2*1-2/h3-4,6-9,15-16,18,20,24,28,32H,5,10-14,17,19H2,1-2H3;12-17,19,23,25H,8-11H2,1-7H3;4-9H,3H2,1-2H3;2*2H,1H3/t;12-,13+,14?,15?,16?,17+,19?,21+;4?,5?,6-,7-;;/m.01../s1.

What are the key properties of 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol?

4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol has a molecular weight of 1058.40 g/mol, XLogP of 6.44, 10 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-(2,3-dihydroindol-1-ylmethyl)quinolin-3-yl]oxypropyl-methylamino]-6-methyloxan-2-ol;(2R,5R)-4,6-dimethyloxane-2,5-diol;(5S,9R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione;methanol is sourced from PubChem (CID 176927250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).