bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline

C147H198N10O2 — CID 167596788

IUPACbis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cc(C(=O)O)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nc(C)ccc2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C14H15NO2.2C14H17N.C13H15N.C12H13N.4C11H11N.C10H9N.6C4H10.2CH4/c1-8(2)10-4-5-15-13-11(10)6-9(3)7-12(13)14(16)17;2*1-9(2)12-5-6-15-14-11(4)7-10(3)8-13(12)14;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-8-6-9(2)12-11(7-8)5-4-10(3)13-12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;3*1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-6-9-4-2-3-5-10(9)11-7-8;6*1-4(2)3;;/h4-8H,1-3H3,(H,16,17);2*5-9H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4*3-7H,1-2H3;2-7H,1H3;6*4H,1-3H3;2*1H4
InChIKeyJEGYXJNOVRCBIU-UHFFFAOYSA-N
MW2137.27 g/mol
LogP43.34
Rot. Bonds5

About bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline

bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline (PubChem CID 167596788) has the molecular formula C147H198N10O2 and a molecular weight of 2137.27 g/mol. Its IUPAC name is bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline.

Molecular Properties

Compound Namebis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline
PubChem CID167596788
Molecular FormulaC147H198N10O2
Molecular Weight2137.27 g/mol
Exact Mass2135.57
IUPAC Namebis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cc(C(=O)O)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nc(C)ccc2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C14H15NO2.2C14H17N.C13H15N.C12H13N.4C11H11N.C10H9N.6C4H10.2CH4/c1-8(2)10-4-5-15-13-11(10)6-9(3)7-12(13)14(16)17;2*1-9(2)12-5-6-15-14-11(4)7-10(3)8-13(12)14;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-8-6-9(2)12-11(7-8)5-4-10(3)13-12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;3*1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-6-9-4-2-3-5-10(9)11-7-8;6*1-4(2)3;;/h4-8H,1-3H3,(H,16,17);2*5-9H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4*3-7H,1-2H3;2-7H,1H3;6*4H,1-3H3;2*1H4
InChIKeyJEGYXJNOVRCBIU-UHFFFAOYSA-N
XLogP43.34
TPSA166.20 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.27
LogP ≤ 543.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline 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

2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
CID 158740820
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
CID 162257754
6-methylquinoline
CID 7059
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
2,9-dimethyl-1,7-phenanthroline
CID 66758842
3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline
CID 162041571
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035

Frequently Asked Questions

What is the IUPAC name of bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline?
The IUPAC name of bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline (CID 167596788) is bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline.
What is the SMILES notation for bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline?
The canonical SMILES for bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline is C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cc(C(=O)O)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nc(C)ccc2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2nccc(C(C)C)c2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1cc(C)c2ncccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1cnc2ccccc2c1.
What is the InChIKey of bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline?
The InChIKey is JEGYXJNOVRCBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.2C14H17N.C13H15N.C12H13N.4C11H11N.C10H9N.6C4H10.2CH4/c1-8(2)10-4-5-15-13-11(10)6-9(3)7-12(13)14(16)17;2*1-9(2)12-5-6-15-14-11(4)7-10(3)8-13(12)14;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-8-6-9(2)12-11(7-8)5-4-10(3)13-12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;3*1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-6-9-4-2-3-5-10(9)11-7-8;6*1-4(2)3;;/h4-8H,1-3H3,(H,16,17);2*5-9H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4*3-7H,1-2H3;2-7H,1H3;6*4H,1-3H3;2*1H4.
What are the key properties of bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline?
bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline has a molecular weight of 2137.27 g/mol, XLogP of 43.34, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline is sourced from PubChem (CID 167596788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).