4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride

C14H22Cl4N4 — CID 158881167

IUPAC4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride
SMILESCNC(CN)CCNc1ccnc2cc(Cl)ccc12.Cl.Cl.Cl
InChIInChI=1S/C14H19ClN4.3ClH/c1-17-11(9-16)4-6-18-13-5-7-19-14-8-10(15)2-3-12(13)14;;;/h2-3,5,7-8,11,17H,4,6,9,16H2,1H3,(H,18,19);3*1H
InChIKeyJDASPMNWVNDRFJ-UHFFFAOYSA-N
MW388.17 g/mol
LogP3.50
Rot. Bonds6

About 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride

4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride (PubChem CID 158881167) has the molecular formula C14H22Cl4N4 and a molecular weight of 388.17 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride
PubChem CID158881167
Molecular FormulaC14H22Cl4N4
Molecular Weight388.17 g/mol
Exact Mass386.06
IUPAC Name4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride
SMILESCNC(CN)CCNc1ccnc2cc(Cl)ccc12.Cl.Cl.Cl
InChIInChI=1S/C14H19ClN4.3ClH/c1-17-11(9-16)4-6-18-13-5-7-19-14-8-10(15)2-3-12(13)14;;;/h2-3,5,7-8,11,17H,4,6,9,16H2,1H3,(H,18,19);3*1H
InChIKeyJDASPMNWVNDRFJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride with MolForge

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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
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
CID 70870191
CID 70870191
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
CID 71470224
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride (CID 158881167) is 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride is CNC(CN)CCNc1ccnc2cc(Cl)ccc12.Cl.Cl.Cl.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride?
The InChIKey is JDASPMNWVNDRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4.3ClH/c1-17-11(9-16)4-6-18-13-5-7-19-14-8-10(15)2-3-12(13)14;;;/h2-3,5,7-8,11,17H,4,6,9,16H2,1H3,(H,18,19);3*1H.
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride?
4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride has a molecular weight of 388.17 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride is sourced from PubChem (CID 158881167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).