N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine

C22H18ClFN2 — CID 129029252

IUPACN-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(C(=C)NC4CC4)c(F)c3)nc2c1
InChIInChI=1S/C22H18ClFN2/c1-3-14-4-8-18-19(23)12-21(26-22(18)10-14)15-5-9-17(20(24)11-15)13(2)25-16-6-7-16/h3-5,8-12,16,25H,1-2,6-7H2
InChIKeyACMJUBDRMJYMKO-UHFFFAOYSA-N
MW364.85 g/mol
LogP6.06
Rot. Bonds5

About N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine

N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine (PubChem CID 129029252) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
PubChem CID129029252
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC NameN-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(C(=C)NC4CC4)c(F)c3)nc2c1
InChIInChI=1S/C22H18ClFN2/c1-3-14-4-8-18-19(23)12-21(26-22(18)10-14)15-5-9-17(20(24)11-15)13(2)25-16-6-7-16/h3-5,8-12,16,25H,1-2,6-7H2
InChIKeyACMJUBDRMJYMKO-UHFFFAOYSA-N
XLogP6.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
CID 145292580
4-(4-chloro-7-ethenylquinolin-2-yl)aniline
CID 145292607
4-chloro-2-cyclopropyl-7-ethenylquinoline
CID 129029227
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
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-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
CID 166488562
4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 129029224
4-chloro-2-(4-fluoro-3-methylphenyl)-7-methylquinoline;1-ethenyl-4-pent-1-en-2-ylpiperazine
CID 145292379
N-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-N-methylcyclopentanamine
CID 129028952
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline;propane
CID 145292891
2-(4-chloro-3-fluorophenyl)-5-ethenylpyridine
CID 175646934

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine?
The IUPAC name of N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine (CID 129029252) is N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine.
What is the SMILES notation for N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine?
The canonical SMILES for N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine is C=Cc1ccc2c(Cl)cc(-c3ccc(C(=C)NC4CC4)c(F)c3)nc2c1.
What is the InChIKey of N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine?
The InChIKey is ACMJUBDRMJYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2/c1-3-14-4-8-18-19(23)12-21(26-22(18)10-14)15-5-9-17(20(24)11-15)13(2)25-16-6-7-16/h3-5,8-12,16,25H,1-2,6-7H2.
What are the key properties of N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine?
N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine has a molecular weight of 364.85 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine is sourced from PubChem (CID 129029252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).