7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine

C14H16Cl2N2O — CID 114242626

IUPAC7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
SMILESCN(CCOCCCl)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16Cl2N2O/c1-18(7-9-19-8-5-15)14-4-6-17-13-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3
InChIKeyWTOOYIPFGXLPTC-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.58
Rot. Bonds6

About 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine

7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine (PubChem CID 114242626) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
PubChem CID114242626
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
SMILESCN(CCOCCCl)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16Cl2N2O/c1-18(7-9-19-8-5-15)14-4-6-17-13-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3
InChIKeyWTOOYIPFGXLPTC-UHFFFAOYSA-N
XLogP3.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
CID 54990454
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine (CID 114242626) is 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine is CN(CCOCCCl)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine?
The InChIKey is WTOOYIPFGXLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-18(7-9-19-8-5-15)14-4-6-17-13-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3.
What are the key properties of 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine?
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine has a molecular weight of 299.20 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine is sourced from PubChem (CID 114242626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).