2-tert-butyl-3-propylquinoline

C16H21N — CID 102039878

IUPAC2-tert-butyl-3-propylquinoline
SMILESCCCc1cc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C16H21N/c1-5-8-13-11-12-9-6-7-10-14(12)17-15(13)16(2,3)4/h6-7,9-11H,5,8H2,1-4H3
InChIKeyAUJQXMAIMRMPQX-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.48
Rot. Bonds2

About 2-tert-butyl-3-propylquinoline

2-tert-butyl-3-propylquinoline (PubChem CID 102039878) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-tert-butyl-3-propylquinoline.

Molecular Properties

Compound Name2-tert-butyl-3-propylquinoline
PubChem CID102039878
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-tert-butyl-3-propylquinoline
SMILESCCCc1cc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C16H21N/c1-5-8-13-11-12-9-6-7-10-14(12)17-15(13)16(2,3)4/h6-7,9-11H,5,8H2,1-4H3
InChIKeyAUJQXMAIMRMPQX-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-propylquinolin-2-amine
CID 63232591
4-propylacridine
CID 609894
7-tert-butyl-6-propylquinoline;ethane;methane
CID 164925406
N-ethyl-2-(trifluoromethyl)quinolin-3-amine
CID 150112143
2-fluoro-3-pentylquinoline
CID 67913215
acridine;9-propylacridine
CID 146450775
acridine;heptane
CID 158562494
3-octylquinolin-2-amine
CID 23131231
3-tert-butyl-2-methylquinoline
CID 89390827
3-ethenyl-2-propylquinoline
CID 67477327
acridine;ethane
CID 123684759
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-propylquinoline?
The IUPAC name of 2-tert-butyl-3-propylquinoline (CID 102039878) is 2-tert-butyl-3-propylquinoline.
What is the SMILES notation for 2-tert-butyl-3-propylquinoline?
The canonical SMILES for 2-tert-butyl-3-propylquinoline is CCCc1cc2ccccc2nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-propylquinoline?
The InChIKey is AUJQXMAIMRMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-5-8-13-11-12-9-6-7-10-14(12)17-15(13)16(2,3)4/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 2-tert-butyl-3-propylquinoline?
2-tert-butyl-3-propylquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-propylquinoline is sourced from PubChem (CID 102039878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).