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

C19H26ClN3 — CID 66921322

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H26ClN3/c1-3-21-15-6-8-16(9-7-15)23(4-2)19-11-12-22-18-13-14(20)5-10-17(18)19/h5,10-13,15-16,21H,3-4,6-9H2,1-2H3
InChIKeyPZFLUQMYOUWGOL-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.64
Rot. Bonds5

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

4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine (PubChem CID 66921322) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
PubChem CID66921322
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H26ClN3/c1-3-21-15-6-8-16(9-7-15)23(4-2)19-11-12-22-18-13-14(20)5-10-17(18)19/h5,10-13,15-16,21H,3-4,6-9H2,1-2H3
InChIKeyPZFLUQMYOUWGOL-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-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'-cyclobutylethane-1,2-diamine
CID 102874825
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
CID 54997318
N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
CID 80666227
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
4-N-(7-chloroquinolin-4-yl)-1-N-[[4-(diethylamino)phenyl]methyl]cyclohexane-1,4-diamine;trihydrochloride
CID 70199593
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'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321245

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine (CID 66921322) is 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine is CCNC1CCC(N(CC)c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine?
The InChIKey is PZFLUQMYOUWGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-3-21-15-6-8-16(9-7-15)23(4-2)19-11-12-22-18-13-14(20)5-10-17(18)19/h5,10-13,15-16,21H,3-4,6-9H2,1-2H3.
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine has a molecular weight of 331.89 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine is sourced from PubChem (CID 66921322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).