N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine

C23H29ClN6 — CID 70691269

IUPACN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
SMILESCc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C23H29ClN6/c1-17-15-22(29-23(28-17)30-13-5-2-6-14-30)27-11-4-3-10-25-20-9-12-26-21-16-18(24)7-8-19(20)21/h7-9,12,15-16H,2-6,10-11,13-14H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyVSAAMHSEPFFXOA-UHFFFAOYSA-N
MW424.98 g/mol
LogP5.28
Rot. Bonds8

About N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine

N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine (PubChem CID 70691269) has the molecular formula C23H29ClN6 and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
PubChem CID70691269
Molecular FormulaC23H29ClN6
Molecular Weight424.98 g/mol
Exact Mass424.21
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
SMILESCc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C23H29ClN6/c1-17-15-22(29-23(28-17)30-13-5-2-6-14-30)27-11-4-3-10-25-20-9-12-26-21-16-18(24)7-8-19(20)21/h7-9,12,15-16H,2-6,10-11,13-14H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyVSAAMHSEPFFXOA-UHFFFAOYSA-N
XLogP5.28
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine with MolForge

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Related Compounds

7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine
CID 159320495
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155528050
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-N-cyclohexyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 46227634
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 127050646
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
CID 158771668
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
CID 71508321
7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 123368292

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine (CID 70691269) is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine is Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCCCC2)n1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is VSAAMHSEPFFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6/c1-17-15-22(29-23(28-17)30-13-5-2-6-14-30)27-11-4-3-10-25-20-9-12-26-21-16-18(24)7-8-19(20)21/h7-9,12,15-16H,2-6,10-11,13-14H2,1H3,(H,25,26)(H,27,28,29).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine?
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 424.98 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 70691269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).