4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline

C19H17ClN2 — CID 10709976

IUPAC4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H17ClN2/c1-2-5-18(22-16-11-9-15(20)10-12-16)17-8-3-6-14-7-4-13-21-19(14)17/h2-4,6-13,18,22H,1,5H2
InChIKeyKWIRFGYEYGIYDD-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.62
Rot. Bonds5

About 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline

4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline (PubChem CID 10709976) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline
PubChem CID10709976
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H17ClN2/c1-2-5-18(22-16-11-9-15(20)10-12-16)17-8-3-6-14-7-4-13-21-19(14)17/h2-4,6-13,18,22H,1,5H2
InChIKeyKWIRFGYEYGIYDD-UHFFFAOYSA-N
XLogP5.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline?
The IUPAC name of 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline (CID 10709976) is 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline?
The canonical SMILES for 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline is C=CCC(Nc1ccc(Cl)cc1)c1cccc2cccnc12.
What is the InChIKey of 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline?
The InChIKey is KWIRFGYEYGIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c1-2-5-18(22-16-11-9-15(20)10-12-16)17-8-3-6-14-7-4-13-21-19(14)17/h2-4,6-13,18,22H,1,5H2.
What are the key properties of 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline?
4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline has a molecular weight of 308.81 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline is sourced from PubChem (CID 10709976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).