3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline

C20H19N — CID 143057310

IUPAC3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
SMILESC=C(CCc1ccccc1)c1ccc2ncc(C)cc2c1
InChIInChI=1S/C20H19N/c1-15-12-19-13-18(10-11-20(19)21-14-15)16(2)8-9-17-6-4-3-5-7-17/h3-7,10-14H,2,8-9H2,1H3
InChIKeyIVLXBYAOILBANC-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.19
Rot. Bonds4

About 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline

3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline (PubChem CID 143057310) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline.

Molecular Properties

Compound Name3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
PubChem CID143057310
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
SMILESC=C(CCc1ccccc1)c1ccc2ncc(C)cc2c1
InChIInChI=1S/C20H19N/c1-15-12-19-13-18(10-11-20(19)21-14-15)16(2)8-9-17-6-4-3-5-7-17/h3-7,10-14H,2,8-9H2,1H3
InChIKeyIVLXBYAOILBANC-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline?
The IUPAC name of 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline (CID 143057310) is 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline.
What is the SMILES notation for 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline?
The canonical SMILES for 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline is C=C(CCc1ccccc1)c1ccc2ncc(C)cc2c1.
What is the InChIKey of 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline?
The InChIKey is IVLXBYAOILBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-15-12-19-13-18(10-11-20(19)21-14-15)16(2)8-9-17-6-4-3-5-7-17/h3-7,10-14H,2,8-9H2,1H3.
What are the key properties of 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline?
3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline has a molecular weight of 273.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline is sourced from PubChem (CID 143057310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).