N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine

C24H31N5 — CID 15272245

IUPACN',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C24H31N5/c1-27(2)13-12-25-22-18-23(26-21-10-6-4-8-19(21)22)20-9-5-7-11-24(20)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyLUCPGSGCVCGZNU-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.63
Rot. Bonds6

About N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine (PubChem CID 15272245) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
PubChem CID15272245
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C24H31N5/c1-27(2)13-12-25-22-18-23(26-21-10-6-4-8-19(21)22)20-9-5-7-11-24(20)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyLUCPGSGCVCGZNU-UHFFFAOYSA-N
XLogP3.63
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-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

Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Proflavine
CID 7099
Ethidium Bromide
CID 14710
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643
Nitracrine
CID 20628

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine (CID 15272245) is N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine is CN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is LUCPGSGCVCGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-27(2)13-12-25-22-18-23(26-21-10-6-4-8-19(21)22)20-9-5-7-11-24(20)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26).
What are the key properties of N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 389.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 15272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).