8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline

C124H139ClN22 — CID 160730289

IUPAC8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCCc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3c(C(C)(C)C)cccc3cn2)cn1.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3n2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1
InChIInChI=1S/C19H23N3.C18H18N4.2C18H21N3.C17H18ClN3.2C17H19N3/c1-6-13-7-14-9-18(15-10-21-22(5)12-15)20-11-16(14)17(8-13)19(2,3)4;1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-9-18-16(8-14(12)15)13-10-19-20(4)11-13;1-17(2,3)14-6-5-7-16-13(14)8-9-15(19-16)12-10-18-20(4)11-12/h7-12H,6H2,1-5H3;5-7,9-11H,1-4H3;2*6-11H,1-5H3;5-10H,1-4H3;2*5-11H,1-4H3
InChIKeyRUGAGPZCGIVUJU-UHFFFAOYSA-N
MW1973.08 g/mol
LogP29.23
Rot. Bonds8

About 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline

8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline (PubChem CID 160730289) has the molecular formula C124H139ClN22 and a molecular weight of 1973.08 g/mol. Its IUPAC name is 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline
PubChem CID160730289
Molecular FormulaC124H139ClN22
Molecular Weight1973.08 g/mol
Exact Mass1971.12
IUPAC Name8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCCc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3c(C(C)(C)C)cccc3cn2)cn1.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3n2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1
InChIInChI=1S/C19H23N3.C18H18N4.2C18H21N3.C17H18ClN3.2C17H19N3/c1-6-13-7-14-9-18(15-10-21-22(5)12-15)20-11-16(14)17(8-13)19(2,3)4;1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-9-18-16(8-14(12)15)13-10-19-20(4)11-13;1-17(2,3)14-6-5-7-16-13(14)8-9-15(19-16)12-10-18-20(4)11-12/h7-12H,6H2,1-5H3;5-7,9-11H,1-4H3;2*6-11H,1-5H3;5-10H,1-4H3;2*5-11H,1-4H3
InChIKeyRUGAGPZCGIVUJU-UHFFFAOYSA-N
XLogP29.23
TPSA238.76 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.08
LogP ≤ 529.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline (CID 160730289) is 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline is CCc1cc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc2c1.Cc1c(-c2cnn(C)c2)ncc2c(C(C)(C)C)cccc12.Cc1nc(-c2cnn(C)c2)cc2cccc(C(C)(C)C)c12.Cn1cc(-c2cc3c(C(C)(C)C)cccc3cn2)cn1.Cn1cc(-c2cc3cc(Cl)cc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3n2)cn1.Cn1cc(-c2ncc3c(C(C)(C)C)cccc3c2C#N)cn1.
What is the InChIKey of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is RUGAGPZCGIVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.C18H18N4.2C18H21N3.C17H18ClN3.2C17H19N3/c1-6-13-7-14-9-18(15-10-21-22(5)12-15)20-11-16(14)17(8-13)19(2,3)4;1-18(2,3)16-7-5-6-13-14(8-19)17(20-10-15(13)16)12-9-21-22(4)11-12;1-12-14-7-6-8-16(18(2,3)4)15(14)10-19-17(12)13-9-20-21(5)11-13;1-12-17-13(7-6-8-15(17)18(2,3)4)9-16(20-12)14-10-19-21(5)11-14;1-17(2,3)15-7-13(18)5-11-6-16(19-9-14(11)15)12-8-20-21(4)10-12;1-17(2,3)15-7-5-6-12-9-18-16(8-14(12)15)13-10-19-20(4)11-13;1-17(2,3)14-6-5-7-16-13(14)8-9-15(19-16)12-10-18-20(4)11-12/h7-12H,6H2,1-5H3;5-7,9-11H,1-4H3;2*6-11H,1-5H3;5-10H,1-4H3;2*5-11H,1-4H3.
What are the key properties of 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline?
8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 1973.08 g/mol, XLogP of 29.23, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-chloro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-6-ethyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;5-tert-butyl-2-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 160730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).