8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

C184H194Cl2F2N18O — CID 158911444

About 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (PubChem CID 158911444) has the molecular formula C184H194Cl2F2N18O and a molecular weight of 2782.60 g/mol. Its IUPAC name is 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
• PubChem CID: 158911444
• Molecular Formula: C184H194Cl2F2N18O
• Molecular Weight: 2782.60 g/mol
• Exact Mass: 2779.50
• IUPAC Name: 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;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)c1ccc2cccnc2c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cncc2cnccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12
• InChI: InChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.5C12H13N.C11H12N2/c1-9(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)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-7-10(3)13(11)12;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)9-3-4-12(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;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11/h3-6,8-9H,1-2H3;3-7,9H,1-2H3;4-9H,1-3H3;2*4-9H,1-3H3;4*3-8H,1-2H3;5*3-9H,1-2H3;3-8H,1-2H3
• InChIKey: JGRXOAYNMUQEBB-UHFFFAOYSA-N
• XLogP: 51.72
• TPSA: 263.05 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2782.60
LogP ≤ 5	51.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?

The IUPAC name of 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (CID 158911444) is 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile.

What is the SMILES notation for 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?

The canonical SMILES for 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;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)c1ccc2cccnc2c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cncc2cnccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12.

What is the InChIKey of 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?

The InChIKey is JGRXOAYNMUQEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.5C12H13N.C11H12N2/c1-9(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)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-7-10(3)13(11)12;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)9-3-4-12(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;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11/h3-6,8-9H,1-2H3;3-7,9H,1-2H3;4-9H,1-3H3;2*4-9H,1-3H3;4*3-8H,1-2H3;5*3-9H,1-2H3;3-8H,1-2H3.

What are the key properties of 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?

8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile has a molecular weight of 2782.60 g/mol, XLogP of 51.72, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;4-methoxy-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile is sourced from PubChem (CID 158911444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).