N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

C17H24ClN3 — CID 58467346

IUPACN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1c(C)cnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3/c1-4-21(5-2)10-6-9-19-17-13(3)12-20-16-11-14(18)7-8-15(16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyLUUDLKFULZJHPH-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.34
Rot. Bonds7

About N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 58467346) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID58467346
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1c(C)cnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3/c1-4-21(5-2)10-6-9-19-17-13(3)12-20-16-11-14(18)7-8-15(16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyLUUDLKFULZJHPH-UHFFFAOYSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine
CID 3786392
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
CID 3828202
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
CID 90671337
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 46225697
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 58467346) is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1c(C)cnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is LUUDLKFULZJHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-21(5-2)10-6-9-19-17-13(3)12-20-16-11-14(18)7-8-15(16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 305.85 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 58467346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).