7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane

C24H39N — CID 143285239

IUPAC7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane
SMILESC=C/C=C\c1c(C)c(C)c2cccnc2c1C(C)C.CC.CC.CC
InChIInChI=1S/C18H21N.3C2H6/c1-6-7-9-15-13(4)14(5)16-10-8-11-19-18(16)17(15)12(2)3;3*1-2/h6-12H,1H2,2-5H3;3*1-2H3/b9-7-;;;
InChIKeyUTORTVHEGXHHIC-AXXLBGQXSA-N
MW341.58 g/mol
LogP8.25
Rot. Bonds3

About 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane

7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane (PubChem CID 143285239) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane.

Molecular Properties

Compound Name7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane
PubChem CID143285239
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane
SMILESC=C/C=C\c1c(C)c(C)c2cccnc2c1C(C)C.CC.CC.CC
InChIInChI=1S/C18H21N.3C2H6/c1-6-7-9-15-13(4)14(5)16-10-8-11-19-18(16)17(15)12(2)3;3*1-2/h6-12H,1H2,2-5H3;3*1-2H3/b9-7-;;;
InChIKeyUTORTVHEGXHHIC-AXXLBGQXSA-N
XLogP8.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane?
The IUPAC name of 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane (CID 143285239) is 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane.
What is the SMILES notation for 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane?
The canonical SMILES for 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane is C=C/C=C\c1c(C)c(C)c2cccnc2c1C(C)C.CC.CC.CC.
What is the InChIKey of 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane?
The InChIKey is UTORTVHEGXHHIC-AXXLBGQXSA-N. The full InChI is InChI=1S/C18H21N.3C2H6/c1-6-7-9-15-13(4)14(5)16-10-8-11-19-18(16)17(15)12(2)3;3*1-2/h6-12H,1H2,2-5H3;3*1-2H3/b9-7-;;;.
What are the key properties of 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane?
7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane has a molecular weight of 341.58 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1Z)-buta-1,3-dienyl]-5,6-dimethyl-8-propan-2-ylquinoline;ethane is sourced from PubChem (CID 143285239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).