4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride

C25H32Cl3N3O2 — CID 70203319

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
SMILESCOc1cccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1OC.Cl.Cl
InChIInChI=1S/C25H30ClN3O2.2ClH/c1-30-24-5-3-4-17(25(24)31-2)12-14-27-19-7-9-20(10-8-19)29-22-13-15-28-23-16-18(26)6-11-21(22)23;;/h3-6,11,13,15-16,19-20,27H,7-10,12,14H2,1-2H3,(H,28,29);2*1H
InChIKeyRMQFHPHIDYCVKU-UHFFFAOYSA-N
MW512.91 g/mol
LogP6.30
Rot. Bonds8

About 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride

4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 70203319) has the molecular formula C25H32Cl3N3O2 and a molecular weight of 512.91 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
PubChem CID70203319
Molecular FormulaC25H32Cl3N3O2
Molecular Weight512.91 g/mol
Exact Mass511.16
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
SMILESCOc1cccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1OC.Cl.Cl
InChIInChI=1S/C25H30ClN3O2.2ClH/c1-30-24-5-3-4-17(25(24)31-2)12-14-27-19-7-9-20(10-8-19)29-22-13-15-28-23-16-18(26)6-11-21(22)23;;/h3-6,11,13,15-16,19-20,27H,7-10,12,14H2,1-2H3,(H,28,29);2*1H
InChIKeyRMQFHPHIDYCVKU-UHFFFAOYSA-N
XLogP6.30
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.91
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride 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

4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine
CID 137206101
4-N-(7-chloroquinolin-4-yl)-1-N-[[4-(diethylamino)phenyl]methyl]cyclohexane-1,4-diamine;trihydrochloride
CID 70199593
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
CID 10287647
4-N-(7-chloroquinolin-4-yl)-1-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203482
7-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 67195433
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
1-N-(7-chloroquinolin-4-yl)-4-N-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine
CID 10288433

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride (CID 70203319) is 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride is COc1cccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1OC.Cl.Cl.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is RMQFHPHIDYCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2.2ClH/c1-30-24-5-3-4-17(25(24)31-2)12-14-27-19-7-9-20(10-8-19)29-22-13-15-28-23-16-18(26)6-11-21(22)23;;/h3-6,11,13,15-16,19-20,27H,7-10,12,14H2,1-2H3,(H,28,29);2*1H.
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride?
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 512.91 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 70203319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).