8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol
C95H110Cl6N10O14S — CID 158224250
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol
SMILESCOCCCc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(OC(C)C)cc(C#N)nc2c1Cl.COc1ccc2c(OC(C)C)cc(C=C(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CC(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CO)nc2c1Cl.COc1ccc2c(OC(C)C)cc(Sc3nncn3C)nc2c1Cl
InChIInChI=1S/C17H22ClNO3.C17H22ClNO2.C17H20ClNO2.C16H17ClN4O2S.C14H13ClN2O2.C14H16ClNO3/c1-11(2)22-15-10-12(6-5-9-20-3)19-17-13(15)7-8-14(21-4)16(17)18;2*1-10(2)8-12-9-15(21-11(3)4)13-6-7-14(20-5)16(18)17(13)19-12;1-9(2)23-12-7-13(24-16-20-18-8-21(16)3)19-15-10(12)5-6-11(22-4)14(15)17;1-8(2)19-12-6-9(7-16)17-14-10(12)4-5-11(18-3)13(14)15;1-8(2)19-12-6-9(7-17)16-14-10(12)4-5-11(18-3)13(14)15/h7-8,10-11H,5-6,9H2,1-4H3;6-7,9-11H,8H2,1-5H3;6-9,11H,1-5H3;5-9H,1-4H3;4-6,8H,1-3H3;4-6,8,17H,7H2,1-3H3
InChIKeyGDPLGYVKRKOTSZ-UHFFFAOYSA-N
MW1860.77 g/mol
LogP24.95
Rot. Bonds28
About 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol
8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol (PubChem CID 158224250) has the molecular formula C95H110Cl6N10O14S and a molecular weight of 1860.77 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol.
Molecular Properties
| Compound Name | 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol |
|---|---|
| PubChem CID | 158224250 |
| Molecular Formula | C95H110Cl6N10O14S |
| Molecular Weight | 1860.77 g/mol |
| Exact Mass | 1856.61 |
| IUPAC Name | 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol |
| SMILES | COCCCc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(OC(C)C)cc(C#N)nc2c1Cl.COc1ccc2c(OC(C)C)cc(C=C(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CC(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CO)nc2c1Cl.COc1ccc2c(OC(C)C)cc(Sc3nncn3C)nc2c1Cl |
| InChI | InChI=1S/C17H22ClNO3.C17H22ClNO2.C17H20ClNO2.C16H17ClN4O2S.C14H13ClN2O2.C14H16ClNO3/c1-11(2)22-15-10-12(6-5-9-20-3)19-17-13(15)7-8-14(21-4)16(17)18;2*1-10(2)8-12-9-15(21-11(3)4)13-6-7-14(20-5)16(18)17(13)19-12;1-9(2)23-12-7-13(24-16-20-18-8-21(16)3)19-15-10(12)5-6-11(22-4)14(15)17;1-8(2)19-12-6-9(7-16)17-14-10(12)4-5-11(18-3)13(14)15;1-8(2)19-12-6-9(7-17)16-14-10(12)4-5-11(18-3)13(14)15/h7-8,10-11H,5-6,9H2,1-4H3;6-7,9-11H,8H2,1-5H3;6-9,11H,1-5H3;5-9H,1-4H3;4-6,8H,1-3H3;4-6,8,17H,7H2,1-3H3 |
| InChIKey | GDPLGYVKRKOTSZ-UHFFFAOYSA-N |
| XLogP | 24.95 |
| TPSA | 272.06 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1860.77 |
| LogP ≤ 5 | 24.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol?
The IUPAC name of 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol (CID 158224250) is 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol.
What is the SMILES notation for 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol?
The canonical SMILES for 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol is COCCCc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.COc1ccc2c(OC(C)C)cc(C#N)nc2c1Cl.COc1ccc2c(OC(C)C)cc(C=C(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CC(C)C)nc2c1Cl.COc1ccc2c(OC(C)C)cc(CO)nc2c1Cl.COc1ccc2c(OC(C)C)cc(Sc3nncn3C)nc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol?
The InChIKey is GDPLGYVKRKOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3.C17H22ClNO2.C17H20ClNO2.C16H17ClN4O2S.C14H13ClN2O2.C14H16ClNO3/c1-11(2)22-15-10-12(6-5-9-20-3)19-17-13(15)7-8-14(21-4)16(17)18;2*1-10(2)8-12-9-15(21-11(3)4)13-6-7-14(20-5)16(18)17(13)19-12;1-9(2)23-12-7-13(24-16-20-18-8-21(16)3)19-15-10(12)5-6-11(22-4)14(15)17;1-8(2)19-12-6-9(7-16)17-14-10(12)4-5-11(18-3)13(14)15;1-8(2)19-12-6-9(7-17)16-14-10(12)4-5-11(18-3)13(14)15/h7-8,10-11H,5-6,9H2,1-4H3;6-7,9-11H,8H2,1-5H3;6-9,11H,1-5H3;5-9H,1-4H3;4-6,8H,1-3H3;4-6,8,17H,7H2,1-3H3.
What are the key properties of 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol?
8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol has a molecular weight of 1860.77 g/mol, XLogP of 24.95, 28 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-(3-methoxypropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylprop-1-enyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-(2-methylpropyl)-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinoline-2-carbonitrile;(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanol is sourced from PubChem (CID 158224250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158224250 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.