4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine

C18H26ClN3 — CID 152777863

IUPAC4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine
SMILESCCN(CC)C(C)(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3/c1-4-22(5-2)18(3,10-6-11-20)16-9-12-21-17-13-14(19)7-8-15(16)17/h7-9,12-13H,4-6,10-11,20H2,1-3H3
InChIKeyNYIMUNOTJSROAE-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.18
Rot. Bonds7

About 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine

4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine (PubChem CID 152777863) has the molecular formula C18H26ClN3 and a molecular weight of 319.88 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine
PubChem CID152777863
Molecular FormulaC18H26ClN3
Molecular Weight319.88 g/mol
Exact Mass319.18
IUPAC Name4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine
SMILESCCN(CC)C(C)(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3/c1-4-22(5-2)18(3,10-6-11-20)16-9-12-21-17-13-14(19)7-8-15(16)17/h7-9,12-13H,4-6,10-11,20H2,1-3H3
InChIKeyNYIMUNOTJSROAE-UHFFFAOYSA-N
XLogP4.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine 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

N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
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
1-(7-chloroquinolin-4-yl)-1-(2-ethoxyheptan-2-yl)hydrazine
CID 150345948
N-butyl-7-chloroquinolin-4-amine
CID 10037042
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
4,7-dichloroquinoline
CID 6866

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine (CID 152777863) is 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine is CCN(CC)C(C)(CCCN)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine?
The InChIKey is NYIMUNOTJSROAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3/c1-4-22(5-2)18(3,10-6-11-20)16-9-12-21-17-13-14(19)7-8-15(16)17/h7-9,12-13H,4-6,10-11,20H2,1-3H3.
What are the key properties of 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine?
4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine has a molecular weight of 319.88 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-4-N,4-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 152777863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).