7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride

C25H30Cl2N4 — CID 46852980

IUPAC7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Clc1ccc2c(CN3CCC(N4CCN(c5ccccc5)CC4)CC3)ccnc2c1
InChIInChI=1S/C25H29ClN4.ClH/c26-21-6-7-24-20(8-11-27-25(24)18-21)19-28-12-9-23(10-13-28)30-16-14-29(15-17-30)22-4-2-1-3-5-22;/h1-8,11,18,23H,9-10,12-17,19H2;1H
InChIKeyVMLUXWKTNOOXCR-UHFFFAOYSA-N
MW457.45 g/mol
LogP5.10
Rot. Bonds4

About 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride

7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride (PubChem CID 46852980) has the molecular formula C25H30Cl2N4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
PubChem CID46852980
Molecular FormulaC25H30Cl2N4
Molecular Weight457.45 g/mol
Exact Mass456.18
IUPAC Name7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Clc1ccc2c(CN3CCC(N4CCN(c5ccccc5)CC4)CC3)ccnc2c1
InChIInChI=1S/C25H29ClN4.ClH/c26-21-6-7-24-20(8-11-27-25(24)18-21)19-28-12-9-23(10-13-28)30-16-14-29(15-17-30)22-4-2-1-3-5-22;/h1-8,11,18,23H,9-10,12-17,19H2;1H
InChIKeyVMLUXWKTNOOXCR-UHFFFAOYSA-N
XLogP5.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride with MolForge

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Related Compounds

4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
CID 68753959
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride
CID 3039708

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride?
The IUPAC name of 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride (CID 46852980) is 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride.
What is the SMILES notation for 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride?
The canonical SMILES for 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride is Cl.Clc1ccc2c(CN3CCC(N4CCN(c5ccccc5)CC4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride?
The InChIKey is VMLUXWKTNOOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4.ClH/c26-21-6-7-24-20(8-11-27-25(24)18-21)19-28-12-9-23(10-13-28)30-16-14-29(15-17-30)22-4-2-1-3-5-22;/h1-8,11,18,23H,9-10,12-17,19H2;1H.
What are the key properties of 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride?
7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride has a molecular weight of 457.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride is sourced from PubChem (CID 46852980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).