4-(4-chloro-7-ethenylquinolin-2-yl)aniline

C17H13ClN2 — CID 145292607

IUPAC4-(4-chloro-7-ethenylquinolin-2-yl)aniline
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C17H13ClN2/c1-2-11-3-8-14-15(18)10-16(20-17(14)9-11)12-4-6-13(19)7-5-12/h2-10H,1,19H2
InChIKeyUKPPTTSJQFWCHN-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.78
Rot. Bonds2

About 4-(4-chloro-7-ethenylquinolin-2-yl)aniline

4-(4-chloro-7-ethenylquinolin-2-yl)aniline (PubChem CID 145292607) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(4-chloro-7-ethenylquinolin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-chloro-7-ethenylquinolin-2-yl)aniline
PubChem CID145292607
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name4-(4-chloro-7-ethenylquinolin-2-yl)aniline
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C17H13ClN2/c1-2-11-3-8-14-15(18)10-16(20-17(14)9-11)12-4-6-13(19)7-5-12/h2-10H,1,19H2
InChIKeyUKPPTTSJQFWCHN-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
CID 145292580
4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
CID 145292266
5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
CID 129029246
4-chloro-2-cyclopropyl-7-ethenylquinoline
CID 129029227
4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 129029224
4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
CID 166488562
N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
CID 129029252
2-[4-(4-chloro-7-ethenylquinolin-2-yl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine;1-methyl-4-pent-1-en-2-ylpiperazine
CID 145292872
1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
CID 145292511
4-[4-chloro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]quinolin-2-yl]aniline
CID 129029287
4-chloro-7-ethenyl-3-methyl-2-(4-methylphenyl)quinoline
CID 145292362

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-7-ethenylquinolin-2-yl)aniline?
The IUPAC name of 4-(4-chloro-7-ethenylquinolin-2-yl)aniline (CID 145292607) is 4-(4-chloro-7-ethenylquinolin-2-yl)aniline.
What is the SMILES notation for 4-(4-chloro-7-ethenylquinolin-2-yl)aniline?
The canonical SMILES for 4-(4-chloro-7-ethenylquinolin-2-yl)aniline is C=Cc1ccc2c(Cl)cc(-c3ccc(N)cc3)nc2c1.
What is the InChIKey of 4-(4-chloro-7-ethenylquinolin-2-yl)aniline?
The InChIKey is UKPPTTSJQFWCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c1-2-11-3-8-14-15(18)10-16(20-17(14)9-11)12-4-6-13(19)7-5-12/h2-10H,1,19H2.
What are the key properties of 4-(4-chloro-7-ethenylquinolin-2-yl)aniline?
4-(4-chloro-7-ethenylquinolin-2-yl)aniline has a molecular weight of 280.76 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-7-ethenylquinolin-2-yl)aniline is sourced from PubChem (CID 145292607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).