1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine

C22H19ClN2OS — CID 42429922

IUPAC1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3
InChIKeyWAGYXCGXJVEIFG-UHFFFAOYSA-N
MW394.93 g/mol
LogP5.92
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine

1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine (PubChem CID 42429922) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
PubChem CID42429922
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC Name1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3
InChIKeyWAGYXCGXJVEIFG-UHFFFAOYSA-N
XLogP5.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxy-3-thiophen-3-yl-quinoline
CID 10331922
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442095
N-[2-(4-Bromophenyl)ethyl]-7-methoxy-2-(3-thienyl)-3-quinolinemethanamine
CID 24969872
2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
CID 26404327
1-(7-Methoxy-2-(thiophen-3-yl)quinolin-3-yl)-n-(4-methylbenzyl)methanamine
CID 52941356
2-(4-Bromophenyl)-n-((7-methoxy-2-(thiophen-2-yl)quinolin-3-yl)methyl)ethanamine
CID 52948780
4-N-(2-chloro-6-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 48032
N-(2-chloro-6-methoxyacridin-9-yl)-N',N'-dipropylpropane-1,3-diamine
CID 44416276
N-(2-chloro-6-methoxyacridin-9-yl)-N'-ethyl-N'-propylpropane-1,3-diamine
CID 44416328
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 44422423
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 44422424
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
CID 44422425

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine (CID 42429922) is 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine is COc1ccc2cc(CNCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The InChIKey is WAGYXCGXJVEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine has a molecular weight of 394.93 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine is sourced from PubChem (CID 42429922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).