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

C25H30ClN3O2 — CID 70199577

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OC
InChIInChI=1S/C25H30ClN3O2/c1-30-24-10-3-17(15-25(24)31-2)11-13-27-19-5-7-20(8-6-19)29-22-12-14-28-23-16-18(26)4-9-21(22)23/h3-4,9-10,12,14-16,19-20,27H,5-8,11,13H2,1-2H3,(H,28,29)
InChIKeyRDUUNYAUCVQGGW-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.46
Rot. Bonds8

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

4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 70199577) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID70199577
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OC
InChIInChI=1S/C25H30ClN3O2/c1-30-24-10-3-17(15-25(24)31-2)11-13-27-19-5-7-20(8-6-19)29-22-12-14-28-23-16-18(26)4-9-21(22)23/h3-4,9-10,12,14-16,19-20,27H,5-8,11,13H2,1-2H3,(H,28,29)
InChIKeyRDUUNYAUCVQGGW-UHFFFAOYSA-N
XLogP5.46
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203319
7-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 67195433
7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
CID 67195886
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
7-chloro-N-[1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 87306097
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
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
CID 10237752
cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
CID 67197279
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
CID 10287647
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine (CID 70199577) is 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine is COc1ccc(CCNC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OC.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is RDUUNYAUCVQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-30-24-10-3-17(15-25(24)31-2)11-13-27-19-5-7-20(8-6-19)29-22-12-14-28-23-16-18(26)4-9-21(22)23/h3-4,9-10,12,14-16,19-20,27H,5-8,11,13H2,1-2H3,(H,28,29).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 439.99 g/mol, XLogP of 5.46, 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-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 70199577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).