2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride

C17H17Cl2N3 — CID 163408625

IUPAC2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride
SMILESC#CC[NH+](CC#C)CCNc1ccnc2cc(Cl)ccc12.[Cl-]
InChIInChI=1S/C17H16ClN3.ClH/c1-3-10-21(11-4-2)12-9-20-16-7-8-19-17-13-14(18)5-6-15(16)17;/h1-2,5-8,13H,9-12H2,(H,19,20);1H
InChIKeyLZCALMSGYZPQDH-UHFFFAOYSA-N
MW334.25 g/mol
LogP-1.54
Rot. Bonds6

About 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride

2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride (PubChem CID 163408625) has the molecular formula C17H17Cl2N3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride
PubChem CID163408625
Molecular FormulaC17H17Cl2N3
Molecular Weight334.25 g/mol
Exact Mass333.08
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride
SMILESC#CC[NH+](CC#C)CCNc1ccnc2cc(Cl)ccc12.[Cl-]
InChIInChI=1S/C17H16ClN3.ClH/c1-3-10-21(11-4-2)12-9-20-16-7-8-19-17-13-14(18)5-6-15(16)17;/h1-2,5-8,13H,9-12H2,(H,19,20);1H
InChIKeyLZCALMSGYZPQDH-UHFFFAOYSA-N
XLogP-1.54
TPSA29.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
CID 70870191
CID 70870191
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride (CID 163408625) is 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride is C#CC[NH+](CC#C)CCNc1ccnc2cc(Cl)ccc12.[Cl-].
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride?
The InChIKey is LZCALMSGYZPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3.ClH/c1-3-10-21(11-4-2)12-9-20-16-7-8-19-17-13-14(18)5-6-15(16)17;/h1-2,5-8,13H,9-12H2,(H,19,20);1H.
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride?
2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride has a molecular weight of 334.25 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]ethyl-bis(prop-2-ynyl)azanium chloride is sourced from PubChem (CID 163408625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).