7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane

C30H48Br2ClN3 — CID 23016541

IUPAC7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
SMILESBrCCCCCCCCBr.Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C22H32ClN3.C8H16Br2/c23-19-10-11-20-21(12-14-25-22(20)18-19)24-13-6-3-1-2-4-7-15-26-16-8-5-9-17-26;9-7-5-3-1-2-4-6-8-10/h10-12,14,18H,1-9,13,15-17H2,(H,24,25);1-8H2
InChIKeyBJVAMMADKFTVTO-UHFFFAOYSA-N
MW646.00 g/mol
LogP10.24
Rot. Bonds17

About 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane

7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane (PubChem CID 23016541) has the molecular formula C30H48Br2ClN3 and a molecular weight of 646.00 g/mol. Its IUPAC name is 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane.

Molecular Properties

Compound Name7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
PubChem CID23016541
Molecular FormulaC30H48Br2ClN3
Molecular Weight646.00 g/mol
Exact Mass643.19
IUPAC Name7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
SMILESBrCCCCCCCCBr.Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C22H32ClN3.C8H16Br2/c23-19-10-11-20-21(12-14-25-22(20)18-19)24-13-6-3-1-2-4-7-15-26-16-8-5-9-17-26;9-7-5-3-1-2-4-6-8-10/h10-12,14,18H,1-9,13,15-17H2,(H,24,25);1-8H2
InChIKeyBJVAMMADKFTVTO-UHFFFAOYSA-N
XLogP10.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.00
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
7-chloro-N-[5-(3,3-dimethyl-1,2,5-trioxa-9-azaspiro[5.5]undecan-9-yl)pentyl]quinolin-4-amine
CID 88938790
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane?
The IUPAC name of 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane (CID 23016541) is 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane.
What is the SMILES notation for 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane?
The canonical SMILES for 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane is BrCCCCCCCCBr.Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane?
The InChIKey is BJVAMMADKFTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3.C8H16Br2/c23-19-10-11-20-21(12-14-25-22(20)18-19)24-13-6-3-1-2-4-7-15-26-16-8-5-9-17-26;9-7-5-3-1-2-4-6-8-10/h10-12,14,18H,1-9,13,15-17H2,(H,24,25);1-8H2.
What are the key properties of 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane?
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane has a molecular weight of 646.00 g/mol, XLogP of 10.24, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane is sourced from PubChem (CID 23016541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).