N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine

C13H16ClN3 — CID 44543907

IUPACN'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3/c1-2-15-7-8-17-12-5-6-16-13-9-10(14)3-4-11(12)13/h3-6,9,15H,2,7-8H2,1H3,(H,16,17)
InChIKeyRPOMKHVBKPIPMD-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.91
Rot. Bonds5

About N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine

N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine (PubChem CID 44543907) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
PubChem CID44543907
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3/c1-2-15-7-8-17-12-5-6-16-13-9-10(14)3-4-11(12)13/h3-6,9,15H,2,7-8H2,1H3,(H,16,17)
InChIKeyRPOMKHVBKPIPMD-UHFFFAOYSA-N
XLogP2.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N'-(7-chloroquinolin-4-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethane-1,2-diamine
CID 71594262
CID 70870191
CID 70870191
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
CID 66549609
CID 66549609
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
3-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 73349406

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine (CID 44543907) is N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine is CCNCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine?
The InChIKey is RPOMKHVBKPIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-15-7-8-17-12-5-6-16-13-9-10(14)3-4-11(12)13/h3-6,9,15H,2,7-8H2,1H3,(H,16,17).
What are the key properties of N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine?
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine has a molecular weight of 249.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 44543907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).