N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine

C35H26Cl2FN3 — CID 23577700

IUPACN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(-c3cccc(Cl)c3)c3cc(C(c4ccc(Cl)cc4)c4cccnc4)ccc3n2)cc1
InChIInChI=1S/C35H26Cl2FN3/c36-28-11-8-24(9-12-28)35(27-4-2-16-39-21-27)26-10-15-34-33(18-26)32(25-3-1-5-29(37)17-25)19-31(41-34)22-40-20-23-6-13-30(38)14-7-23/h1-19,21,35,40H,20,22H2
InChIKeyPSTBWPAJUXFJGS-UHFFFAOYSA-N
MW578.52 g/mol
LogP9.21
Rot. Bonds8

About N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine

N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 23577700) has the molecular formula C35H26Cl2FN3 and a molecular weight of 578.52 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID23577700
Molecular FormulaC35H26Cl2FN3
Molecular Weight578.52 g/mol
Exact Mass577.15
IUPAC NameN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(-c3cccc(Cl)c3)c3cc(C(c4ccc(Cl)cc4)c4cccnc4)ccc3n2)cc1
InChIInChI=1S/C35H26Cl2FN3/c36-28-11-8-24(9-12-28)35(27-4-2-16-39-21-27)26-10-15-34-33(18-26)32(25-3-1-5-29(37)17-25)19-31(41-34)22-40-20-23-6-13-30(38)14-7-23/h1-19,21,35,40H,20,22H2
InChIKeyPSTBWPAJUXFJGS-UHFFFAOYSA-N
XLogP9.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.52
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine 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

(Adamantan-1-ylmethyl)({2-[(7-chloroquinolin-4-yl)amino]ethyl})amine
CID 24950183
Lys01
CID 70673567
trans-(1R,2R)-1-N,2-N-bis(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 9910932
1,3-Cyclohexanediamine,N,N'-bis(7-chloro-4-quinolinyl)-, trans-(9CI)
CID 10478229
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-7-chloro-quinolin-4-amine
CID 11995820
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloro-quinolin-4-amine
CID 46929448
N-[3-[4-(2-adamantyl)piperazin-1-yl]propyl]-7-chloro-quinolin-4-amine
CID 46929561
N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine
CID 434361
[2-(Adamantan-1-yl)ethyl]({2-[(7-chloroquinolin-4-yl)amino]ethyl})amine
CID 24950016
(Adamantan-1-ylmethyl)({3-[(7-chloroquinolin-4-yl)amino]propyl})amine
CID 24950184
6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (12c)
CID 122199188

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine (CID 23577700) is N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2cc(-c3cccc(Cl)c3)c3cc(C(c4ccc(Cl)cc4)c4cccnc4)ccc3n2)cc1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is PSTBWPAJUXFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26Cl2FN3/c36-28-11-8-24(9-12-28)35(27-4-2-16-39-21-27)26-10-15-34-33(18-26)32(25-3-1-5-29(37)17-25)19-31(41-34)22-40-20-23-6-13-30(38)14-7-23/h1-19,21,35,40H,20,22H2.
What are the key properties of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 578.52 g/mol, XLogP of 9.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 23577700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).