2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane

C228H348N12 — CID 162096604

IUPAC2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(C(C)(C)C)cccc2n1.CC(C)(C)c1ccc2c(C(C)(C)C)ccnc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2cccc(C(C)(C)C)c2n1.CC(C)(C)c1ccc2nc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ncc(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2nccc(C(C)(C)C)c2c1.CC(C)(C)c1cccc2nccc(C(C)(C)C)c12.CC(C)(C)c1ccnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1cnc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/12C17H23N.12C2H6/c1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(17(4,5)6)18-14(12)11-13;1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6;1-16(2,3)13-8-7-12-9-14(17(4,5)6)11-18-15(12)10-13;1-16(2,3)12-7-8-15-13(11-12)14(9-10-18-15)17(4,5)6;1-16(2,3)12-7-8-13-14(17(4,5)6)9-10-18-15(13)11-12;1-16(2,3)12-10-13-14(17(4,5)6)8-7-9-15(13)18-11-12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13;1-16(2,3)13-8-7-9-14-12(13)10-11-15(18-14)17(4,5)6;1-16(2,3)12-8-7-9-14-15(12)13(10-11-18-14)17(4,5)6;1-16(2,3)13-10-11-18-15-12(13)8-7-9-14(15)17(4,5)6;1-16(2,3)13-9-7-8-12-10-11-14(17(4,5)6)18-15(12)13;12*1-2/h12*7-11H,1-6H3;12*1-2H3
InChIKeyZEIHOZNRZFILAV-UHFFFAOYSA-N
MW3257.38 g/mol
LogP70.27
Rot. Bonds

About 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane

2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane (PubChem CID 162096604) has the molecular formula C228H348N12 and a molecular weight of 3257.38 g/mol. Its IUPAC name is 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane.

Molecular Properties

Compound Name2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane
PubChem CID162096604
Molecular FormulaC228H348N12
Molecular Weight3257.38 g/mol
Exact Mass3254.76
IUPAC Name2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(C(C)(C)C)cccc2n1.CC(C)(C)c1ccc2c(C(C)(C)C)ccnc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2cccc(C(C)(C)C)c2n1.CC(C)(C)c1ccc2nc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ncc(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2nccc(C(C)(C)C)c2c1.CC(C)(C)c1cccc2nccc(C(C)(C)C)c12.CC(C)(C)c1ccnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1cnc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/12C17H23N.12C2H6/c1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(17(4,5)6)18-14(12)11-13;1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6;1-16(2,3)13-8-7-12-9-14(17(4,5)6)11-18-15(12)10-13;1-16(2,3)12-7-8-15-13(11-12)14(9-10-18-15)17(4,5)6;1-16(2,3)12-7-8-13-14(17(4,5)6)9-10-18-15(13)11-12;1-16(2,3)12-10-13-14(17(4,5)6)8-7-9-15(13)18-11-12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13;1-16(2,3)13-8-7-9-14-12(13)10-11-15(18-14)17(4,5)6;1-16(2,3)12-8-7-9-14-15(12)13(10-11-18-14)17(4,5)6;1-16(2,3)13-10-11-18-15-12(13)8-7-9-14(15)17(4,5)6;1-16(2,3)13-9-7-8-12-10-11-14(17(4,5)6)18-15(12)13;12*1-2/h12*7-11H,1-6H3;12*1-2H3
InChIKeyZEIHOZNRZFILAV-UHFFFAOYSA-N
XLogP70.27
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003257.38
LogP ≤ 570.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane 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

5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
CID 167585846
4-tert-butyl-8-fluoroquinoline;1-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;8-tert-butylquinoline;5-tert-butylquinoxaline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline
CID 167610785
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130
1,7-ditert-butylnaphthalene
CID 59350345
1-tert-butylphenanthrene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;4-tert-butylphenanthrene;2,2-dimethylpropane;phenanthrene
CID 157219441
5,8-ditert-butylquinoline;ethane
CID 142102448

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane?
The IUPAC name of 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane (CID 162096604) is 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane.
What is the SMILES notation for 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane?
The canonical SMILES for 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(C(C)(C)C)cccc2n1.CC(C)(C)c1ccc2c(C(C)(C)C)ccnc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2cccc(C(C)(C)C)c2n1.CC(C)(C)c1ccc2nc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ncc(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2nccc(C(C)(C)C)c2c1.CC(C)(C)c1cccc2nccc(C(C)(C)C)c12.CC(C)(C)c1ccnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1cnc2cccc(C(C)(C)C)c2c1.
What is the InChIKey of 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane?
The InChIKey is ZEIHOZNRZFILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/12C17H23N.12C2H6/c1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(17(4,5)6)18-14(12)11-13;1-16(2,3)13-7-8-15-12(9-13)10-14(11-18-15)17(4,5)6;1-16(2,3)13-8-7-12-9-14(17(4,5)6)11-18-15(12)10-13;1-16(2,3)12-7-8-15-13(11-12)14(9-10-18-15)17(4,5)6;1-16(2,3)12-7-8-13-14(17(4,5)6)9-10-18-15(13)11-12;1-16(2,3)12-10-13-14(17(4,5)6)8-7-9-15(13)18-11-12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13;1-16(2,3)13-8-7-9-14-12(13)10-11-15(18-14)17(4,5)6;1-16(2,3)12-8-7-9-14-15(12)13(10-11-18-14)17(4,5)6;1-16(2,3)13-10-11-18-15-12(13)8-7-9-14(15)17(4,5)6;1-16(2,3)13-9-7-8-12-10-11-14(17(4,5)6)18-15(12)13;12*1-2/h12*7-11H,1-6H3;12*1-2H3.
What are the key properties of 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane?
2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane has a molecular weight of 3257.38 g/mol, XLogP of 70.27, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane is sourced from PubChem (CID 162096604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).