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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

C195H208Cl2F2N20O — CID 158488544

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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-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)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cncc2ccccc12.CC(C)c1cncc2cnccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.5C12H13N.C11H14N2.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)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;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;4-8H,1-3H3;3-8H,1-2H3
InChIKeyHIKHCDMANAACLR-UHFFFAOYSA-N
MW2956.85 g/mol
LogP54.42
Rot. Bonds17

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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (PubChem CID 158488544) has the molecular formula C195H208Cl2F2N20O and a molecular weight of 2956.85 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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
PubChem CID158488544
Molecular FormulaC195H208Cl2F2N20O
Molecular Weight2956.85 g/mol
Exact Mass2953.62
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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-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)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cncc2ccccc12.CC(C)c1cncc2cnccc12.COc1ccnc2cccc(C(C)C)c12.Cc1ccnc2cccc(C(C)C)c12.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.5C12H13N.C11H14N2.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)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;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;4-8H,1-3H3;3-8H,1-2H3
InChIKeyHIKHCDMANAACLR-UHFFFAOYSA-N
XLogP54.42
TPSA280.87 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002956.85
LogP ≤ 554.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (CID 158488544) 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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
The InChIKey is HIKHCDMANAACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2.C13H15NO.2C13H15N.2C12H12ClN.2C12H12FN.5C12H13N.C11H14N2.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)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;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;4-8H,1-3H3;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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile has a molecular weight of 2956.85 g/mol, XLogP of 54.42, 17 rotatable bonds, 0 hydrogen bond donors, and 21 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;2-methyl-7-propan-2-ylindazole;4-methyl-5-propan-2-ylisoquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-8-carbonitrile;4-propan-2-yl-2,7-naphthyridine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile is sourced from PubChem (CID 158488544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).