7-ethyl-4-methylidene-3H-quinoline

C12H13N — CID 159628572

IUPAC7-ethyl-4-methylidene-3H-quinoline
SMILESC=C1CC=Nc2cc(CC)ccc21
InChIInChI=1S/C12H13N/c1-3-10-4-5-11-9(2)6-7-13-12(11)8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyUCMFCPSDCDZXHA-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.37
Rot. Bonds1

About 7-ethyl-4-methylidene-3H-quinoline

7-ethyl-4-methylidene-3H-quinoline (PubChem CID 159628572) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-ethyl-4-methylidene-3H-quinoline.

Molecular Properties

Compound Name7-ethyl-4-methylidene-3H-quinoline
PubChem CID159628572
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name7-ethyl-4-methylidene-3H-quinoline
SMILESC=C1CC=Nc2cc(CC)ccc21
InChIInChI=1S/C12H13N/c1-3-10-4-5-11-9(2)6-7-13-12(11)8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyUCMFCPSDCDZXHA-UHFFFAOYSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-Methylbenzylidene)-P-toluidine
CID 525721
3-methylene-3H-indole
CID 170404
Morphanthridine
CID 10878016
2,5-Dimethylphenyl isothiocyanate
CID 140499
N-Cinnamylideneaniline
CID 5375816
N-(4-Methylbenzylidene)aniline
CID 525732
N-(3-Phenyl-2-propenylidene)aniline
CID 291034
N-Benzylidene-o-toluidine
CID 97516
N-Benzylidene-2,5-xylidine
CID 4583663
3-[2-(1-Methyl-2-pyridinylidene)ethylidene]indole
CID 2838646
3-[2-(1-Methyl-2-hydropyridylidene)ethylidene]indole
CID 5720143
N-Benzylidene-m-toluidine
CID 111106

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methylidene-3H-quinoline?
The IUPAC name of 7-ethyl-4-methylidene-3H-quinoline (CID 159628572) is 7-ethyl-4-methylidene-3H-quinoline.
What is the SMILES notation for 7-ethyl-4-methylidene-3H-quinoline?
The canonical SMILES for 7-ethyl-4-methylidene-3H-quinoline is C=C1CC=Nc2cc(CC)ccc21.
What is the InChIKey of 7-ethyl-4-methylidene-3H-quinoline?
The InChIKey is UCMFCPSDCDZXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-10-4-5-11-9(2)6-7-13-12(11)8-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 7-ethyl-4-methylidene-3H-quinoline?
7-ethyl-4-methylidene-3H-quinoline has a molecular weight of 171.24 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methylidene-3H-quinoline is sourced from PubChem (CID 159628572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).