6,7-di(propan-2-yl)quinoline;ethane

C19H31N — CID 157071831

IUPAC6,7-di(propan-2-yl)quinoline;ethane
SMILESCC.CC.CC(C)c1cc2cccnc2cc1C(C)C
InChIInChI=1S/C15H19N.2C2H6/c1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-2/h5-11H,1-4H3;2*1-2H3
InChIKeyACNDLYGUOZZVHO-UHFFFAOYSA-N
MW273.46 g/mol
LogP6.53
Rot. Bonds2

About 6,7-di(propan-2-yl)quinoline;ethane

6,7-di(propan-2-yl)quinoline;ethane (PubChem CID 157071831) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)quinoline;ethane.

Molecular Properties

Compound Name6,7-di(propan-2-yl)quinoline;ethane
PubChem CID157071831
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name6,7-di(propan-2-yl)quinoline;ethane
SMILESCC.CC.CC(C)c1cc2cccnc2cc1C(C)C
InChIInChI=1S/C15H19N.2C2H6/c1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-2/h5-11H,1-4H3;2*1-2H3
InChIKeyACNDLYGUOZZVHO-UHFFFAOYSA-N
XLogP6.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-propan-2-ylquinolin-6-ol
CID 58826991
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
bis(2-methylpropane);quinoline
CID 159945466
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
ethane;quinolin-7-ol
CID 143537862
7-tert-butyl-6-propylquinoline;ethane;methane
CID 164925406
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
7-chloro-5-propan-2-ylquinoline
CID 155708995
7,9-dimethylpyrido[4,3-g]quinoline
CID 118895211
7-propan-2-ylsulfanylquinoline
CID 89470395

Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)quinoline;ethane?
The IUPAC name of 6,7-di(propan-2-yl)quinoline;ethane (CID 157071831) is 6,7-di(propan-2-yl)quinoline;ethane.
What is the SMILES notation for 6,7-di(propan-2-yl)quinoline;ethane?
The canonical SMILES for 6,7-di(propan-2-yl)quinoline;ethane is CC.CC.CC(C)c1cc2cccnc2cc1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)quinoline;ethane?
The InChIKey is ACNDLYGUOZZVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.2C2H6/c1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-2/h5-11H,1-4H3;2*1-2H3.
What are the key properties of 6,7-di(propan-2-yl)quinoline;ethane?
6,7-di(propan-2-yl)quinoline;ethane has a molecular weight of 273.46 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)quinoline;ethane is sourced from PubChem (CID 157071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).