N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine

C23H24ClN5 — CID 144914285

IUPACN-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc2ccccc12)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H24ClN5/c1-29(15-13-28-23-19-5-3-2-4-17(19)8-10-27-23)14-12-26-21-9-11-25-22-16-18(24)6-7-20(21)22/h2-11,16H,12-15H2,1H3,(H,25,26)(H,27,28)
InChIKeyIRDLSUFWNOIXCC-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.89
Rot. Bonds8

About N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine

N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 144914285) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine
PubChem CID144914285
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc2ccccc12)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H24ClN5/c1-29(15-13-28-23-19-5-3-2-4-17(19)8-10-27-23)14-12-26-21-9-11-25-22-16-18(24)6-7-20(21)22/h2-11,16H,12-15H2,1H3,(H,25,26)(H,27,28)
InChIKeyIRDLSUFWNOIXCC-UHFFFAOYSA-N
XLogP4.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine (CID 144914285) is N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine is CN(CCNc1nccc2ccccc12)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is IRDLSUFWNOIXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-29(15-13-28-23-19-5-3-2-4-17(19)8-10-27-23)14-12-26-21-9-11-25-22-16-18(24)6-7-20(21)22/h2-11,16H,12-15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine?
N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 405.93 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-[2-(isoquinolin-1-ylamino)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 144914285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).