ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline

C16H21N — CID 142062961

IUPACethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
SMILESC/C=C\c1ccc2cccnc2c1CC.CC
InChIInChI=1S/C14H15N.C2H6/c1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b6-3-;
InChIKeyHOQDUBYSOWCMPW-AQPBACSKSA-N
MW227.35 g/mol
LogP4.86
Rot. Bonds2

About ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline

ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline (PubChem CID 142062961) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline.

Molecular Properties

Compound Nameethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
PubChem CID142062961
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
SMILESC/C=C\c1ccc2cccnc2c1CC.CC
InChIInChI=1S/C14H15N.C2H6/c1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b6-3-;
InChIKeyHOQDUBYSOWCMPW-AQPBACSKSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
CID 142453532
7-[(Z)-dodec-1-enyl]quinolin-8-ol
CID 70466776
8-ethyl-7-[2-(3-methylphenyl)ethyl]quinoline
CID 142372840
7-[(E)-oct-1-enyl]quinolin-8-ol
CID 13177336
7-propylquinolin-8-ol
CID 11604513
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline?
The IUPAC name of ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline (CID 142062961) is ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline.
What is the SMILES notation for ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline?
The canonical SMILES for ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline is C/C=C\c1ccc2cccnc2c1CC.CC.
What is the InChIKey of ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline?
The InChIKey is HOQDUBYSOWCMPW-AQPBACSKSA-N. The full InChI is InChI=1S/C14H15N.C2H6/c1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b6-3-;.
What are the key properties of ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline?
ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline has a molecular weight of 227.35 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline is sourced from PubChem (CID 142062961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).