1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile

C217H229Cl3F3N21O3 — CID 159512918

About 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile

1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile (PubChem CID 159512918) has the molecular formula C217H229Cl3F3N21O3 and a molecular weight of 3342.72 g/mol. Its IUPAC name is 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile
• PubChem CID: 159512918
• Molecular Formula: C217H229Cl3F3N21O3
• Molecular Weight: 3342.72 g/mol
• Exact Mass: 3338.74
• IUPAC Name: 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile
• SMILES: CC(C)c1ccc(C#N)c2cnccc12.CC(C)c1ccc(C#N)c2ncccc12.CC(C)c1ccc(Cl)c2cnccc12.CC(C)c1ccc(Cl)c2ncccc12.CC(C)c1ccc(F)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1cccc2c(C#N)nccc12.CC(C)c1cccc2c(Cl)nccc12.CC(C)c1cccc2cnc(C#N)cc12.CC(C)c1cccc2nc(C(C)F)ccc12.COc1ccc2c(C(C)C)cccc2n1.COc1ccnc2cccc(C(C)C)c12.COc1nccc2c(C(C)C)cccc12.Cc1cc2c(C(C)C)cccc2cn1.Cc1ccc2c(C(C)C)cccc2n1.Cc1ccnc2cccc(C(C)C)c12.Cc1cnc2cccc(C(C)C)c2c1
• InChI: InChI=1S/C14H16FN.4C13H12N2.3C13H15NO.4C13H15N.3C12H12ClN.2C12H12FN/c1-9(2)11-5-4-6-14-12(11)7-8-13(16-14)10(3)15;1-9(2)11-4-3-10(7-14)13-8-15-6-5-12(11)13;1-9(2)11-6-5-10(8-14)13-12(11)4-3-7-15-13;1-9(2)12-5-3-4-10-8-15-11(7-14)6-13(10)12;1-9(2)10-4-3-5-12-11(10)6-7-15-13(12)8-14;1-9(2)10-5-4-6-12-11(10)7-8-14-13(12)15-3;1-9(2)10-5-4-6-12-11(10)7-8-13(14-12)15-3;1-9(2)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-10(3)7-13(11)12;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;1-9(2)11-5-4-6-12-13(11)10(3)7-8-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-8(2)9-4-3-5-11-10(9)6-7-14-12(11)13;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12/h4-10H,1-3H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3*4-9H,1-3H3;4*4-9H,1-3H3;5*3-8H,1-2H3
• InChIKey: MAVDMIDLINSSPE-UHFFFAOYSA-N
• XLogP: 61.10
• TPSA: 341.98 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3342.72
LogP ≤ 5	61.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile?

The IUPAC name of 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile (CID 159512918) is 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile.

What is the SMILES notation for 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile?

The canonical SMILES for 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile is CC(C)c1ccc(C#N)c2cnccc12.CC(C)c1ccc(C#N)c2ncccc12.CC(C)c1ccc(Cl)c2cnccc12.CC(C)c1ccc(Cl)c2ncccc12.CC(C)c1ccc(F)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1cccc2c(C#N)nccc12.CC(C)c1cccc2c(Cl)nccc12.CC(C)c1cccc2cnc(C#N)cc12.CC(C)c1cccc2nc(C(C)F)ccc12.COc1ccc2c(C(C)C)cccc2n1.COc1ccnc2cccc(C(C)C)c12.COc1nccc2c(C(C)C)cccc12.Cc1cc2c(C(C)C)cccc2cn1.Cc1ccc2c(C(C)C)cccc2n1.Cc1ccnc2cccc(C(C)C)c12.Cc1cnc2cccc(C(C)C)c2c1.

What is the InChIKey of 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile?

The InChIKey is MAVDMIDLINSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.4C13H12N2.3C13H15NO.4C13H15N.3C12H12ClN.2C12H12FN/c1-9(2)11-5-4-6-14-12(11)7-8-13(16-14)10(3)15;1-9(2)11-4-3-10(7-14)13-8-15-6-5-12(11)13;1-9(2)11-6-5-10(8-14)13-12(11)4-3-7-15-13;1-9(2)12-5-3-4-10-8-15-11(7-14)6-13(10)12;1-9(2)10-4-3-5-12-11(10)6-7-15-13(12)8-14;1-9(2)10-5-4-6-12-11(10)7-8-14-13(12)15-3;1-9(2)10-5-4-6-12-11(10)7-8-13(14-12)15-3;1-9(2)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-10(3)7-13(11)12;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;1-9(2)11-5-4-6-12-13(11)10(3)7-8-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-8(2)9-4-3-5-11-10(9)6-7-14-12(11)13;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12/h4-10H,1-3H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3*4-9H,1-3H3;4*4-9H,1-3H3;5*3-8H,1-2H3.

What are the key properties of 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile?

1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile has a molecular weight of 3342.72 g/mol, XLogP of 61.10, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;2-methoxy-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile is sourced from PubChem (CID 159512918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).