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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

C149H156Cl2F2N14O — CID 159539947

IUPAC8-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
SMILESCC(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)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.3C12H13N/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)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/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;3*3-9H,1-2H3
InChIKeyMEBMUZWVNZZBPX-UHFFFAOYSA-N
MW2267.89 g/mol
LogP42.25
Rot. Bonds13

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;3-propan-2-ylquinoline;7-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (PubChem CID 159539947) has the molecular formula C149H156Cl2F2N14O and a molecular weight of 2267.89 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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile.

Molecular Properties

Compound Name8-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
PubChem CID159539947
Molecular FormulaC149H156Cl2F2N14O
Molecular Weight2267.89 g/mol
Exact Mass2265.19
IUPAC Name8-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
SMILESCC(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)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.3C12H13N/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)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/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;3*3-9H,1-2H3
InChIKeyMEBMUZWVNZZBPX-UHFFFAOYSA-N
XLogP42.25
TPSA211.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.89
LogP ≤ 542.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile with MolForge

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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;3-propan-2-ylquinoline;7-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (CID 159539947) 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;3-propan-2-ylquinoline;7-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;3-propan-2-ylquinoline;7-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;3-propan-2-ylquinoline;7-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)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
The InChIKey is MEBMUZWVNZZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.3C12H13N/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)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/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;3*3-9H,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;3-propan-2-ylquinoline;7-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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile has a molecular weight of 2267.89 g/mol, XLogP of 42.25, 13 rotatable bonds, 0 hydrogen bond donors, and 15 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;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile is sourced from PubChem (CID 159539947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).