1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine

C22H20Cl2N6 — CID 591300

IUPAC1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
SMILESClc1ccc2c(NN3CCN(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1
InChIInChI=1S/C22H20Cl2N6/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-29-9-11-30(12-10-29)28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28)
InChIKeyOELIZBOAPNQQAI-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.06
Rot. Bonds4

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

1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine (PubChem CID 591300) has the molecular formula C22H20Cl2N6 and a molecular weight of 439.35 g/mol. Its IUPAC name is 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
PubChem CID591300
Molecular FormulaC22H20Cl2N6
Molecular Weight439.35 g/mol
Exact Mass438.11
IUPAC Name1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
SMILESClc1ccc2c(NN3CCN(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1
InChIInChI=1S/C22H20Cl2N6/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-29-9-11-30(12-10-29)28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28)
InChIKeyOELIZBOAPNQQAI-UHFFFAOYSA-N
XLogP5.06
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
4,7-dichloroquinoline
CID 6866
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine (CID 591300) is 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine is Clc1ccc2c(NN3CCN(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1.
What is the InChIKey of 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine?
The InChIKey is OELIZBOAPNQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-29-9-11-30(12-10-29)28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28).
What are the key properties of 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine?
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine has a molecular weight of 439.35 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine is sourced from PubChem (CID 591300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).