(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C99H115N5O7S — CID 159630769

About (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 159630769) has the molecular formula C99H115N5O7S and a molecular weight of 1519.10 g/mol. Its IUPAC name is (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

• Compound Name: (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• PubChem CID: 159630769
• Molecular Formula: C99H115N5O7S
• Molecular Weight: 1519.10 g/mol
• Exact Mass: 1517.85
• IUPAC Name: (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• SMILES: CC(C)(C)c1ccc2c(c1)C1OCCC1C(c1cccc(O)c1)N2.CC(C)(C)c1ccc2c(c1)C1OCCC1C(c1cccc(O)c1)N2.CC(C)c1ccc2c(c1)C1OCCCC1C(c1ccsc1)N2.Cc1ccc2c(c1)C1OCCCC1C(c1ccccc1)N2.Cc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
• InChI: InChI=1S/2C21H25NO2.C19H23NOS.2C19H21NO/c2*1-21(2,3)14-7-8-18-17(12-14)20-16(9-10-24-20)19(22-18)13-5-4-6-15(23)11-13;1-12(2)13-5-6-17-16(10-13)19-15(4-3-8-21-19)18(20-17)14-7-9-22-11-14;2*1-13-9-10-17-16(12-13)19-15(8-5-11-21-19)18(20-17)14-6-3-2-4-7-14/h2*4-8,11-12,16,19-20,22-23H,9-10H2,1-3H3;5-7,9-12,15,18-20H,3-4,8H2,1-2H3;2*2-4,6-7,9-10,12,15,18-20H,5,8,11H2,1H3/t;;;15-,18-,19-;/m...0./s1
• InChIKey: MPCCODSUYNOLES-REZQGACPSA-N
• XLogP: 24.63
• TPSA: 146.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1519.10
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The IUPAC name of (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 159630769) is (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

What is the SMILES notation for (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The canonical SMILES for (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is CC(C)(C)c1ccc2c(c1)C1OCCC1C(c1cccc(O)c1)N2.CC(C)(C)c1ccc2c(c1)C1OCCC1C(c1cccc(O)c1)N2.CC(C)c1ccc2c(c1)C1OCCCC1C(c1ccsc1)N2.Cc1ccc2c(c1)C1OCCCC1C(c1ccccc1)N2.Cc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2.

What is the InChIKey of (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The InChIKey is MPCCODSUYNOLES-REZQGACPSA-N. The full InChI is InChI=1S/2C21H25NO2.C19H23NOS.2C19H21NO/c2*1-21(2,3)14-7-8-18-17(12-14)20-16(9-10-24-20)19(22-18)13-5-4-6-15(23)11-13;1-12(2)13-5-6-17-16(10-13)19-15(4-3-8-21-19)18(20-17)14-7-9-22-11-14;2*1-13-9-10-17-16(12-13)19-15(8-5-11-21-19)18(20-17)14-6-3-2-4-7-14/h2*4-8,11-12,16,19-20,22-23H,9-10H2,1-3H3;5-7,9-12,15,18-20H,3-4,8H2,1-2H3;2*2-4,6-7,9-10,12,15,18-20H,5,8,11H2,1H3/t;;;15-,18-,19-;/m...0./s1.

What are the key properties of (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 1519.10 g/mol, XLogP of 24.63, 6 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;bis(3-(8-tert-butyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)phenol);9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;9-propan-2-yl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 159630769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).