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

C32H29Cl2N3O — CID 23577791

IUPACN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1
InChIInChI=1S/C32H29Cl2N3O/c1-38-16-4-15-36-21-28-19-29(23-5-2-7-27(34)17-23)30-18-24(10-13-31(30)37-28)32(25-6-3-14-35-20-25)22-8-11-26(33)12-9-22/h2-3,5-14,17-20,32,36H,4,15-16,21H2,1H3
InChIKeyWVPFQDCSHHBJHO-UHFFFAOYSA-N
MW542.51 g/mol
LogP7.91
Rot. Bonds10

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

N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 23577791) has the molecular formula C32H29Cl2N3O and a molecular weight of 542.51 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine
PubChem CID23577791
Molecular FormulaC32H29Cl2N3O
Molecular Weight542.51 g/mol
Exact Mass541.17
IUPAC NameN-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1
InChIInChI=1S/C32H29Cl2N3O/c1-38-16-4-15-36-21-28-19-29(23-5-2-7-27(34)17-23)30-18-24(10-13-31(30)37-28)32(25-6-3-14-35-20-25)22-8-11-26(33)12-9-22/h2-3,5-14,17-20,32,36H,4,15-16,21H2,1H3
InChIKeyWVPFQDCSHHBJHO-UHFFFAOYSA-N
XLogP7.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.51
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine with MolForge

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Related Compounds

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
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (12c)
CID 122199188
7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819803
7-chloro-N-[3-[4-(2,2-diphenylethyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 46929560
8-(3-(1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethyl)phenyl)-6-isopropylquinoline
CID 10183196
8-{3-[1-(4-Chloro-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-phenyl}-6-isopropyl-quinoline
CID 10205978
7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
CID 10622386
6-(4-Chlorophenyl)-n-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11575548
7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25004136
7-chloro-N-[[3-chloro-4-(morpholinomethyl)phenyl]-(3-chlorophenyl)methyl]quinolin-4-amine
CID 25004138

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine (CID 23577791) is N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is WVPFQDCSHHBJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2N3O/c1-38-16-4-15-36-21-28-19-29(23-5-2-7-27(34)17-23)30-18-24(10-13-31(30)37-28)32(25-6-3-14-35-20-25)22-8-11-26(33)12-9-22/h2-3,5-14,17-20,32,36H,4,15-16,21H2,1H3.
What are the key properties of N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine?
N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 542.51 g/mol, XLogP of 7.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-methoxypropan-1-amine is sourced from PubChem (CID 23577791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).