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

C14H18ClN3 — CID 62639989

IUPACN-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3/c1-3-18(2)9-8-17-13-6-7-16-14-10-11(15)4-5-12(13)14/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNHPWRBXCQXYBTJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.25
Rot. Bonds5

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

N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 62639989) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID62639989
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3/c1-3-18(2)9-8-17-13-6-7-16-14-10-11(15)4-5-12(13)14/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNHPWRBXCQXYBTJ-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
CID 71470224
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
CID 11847300
CID 11847300
N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
CID 101126572
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 62639989) is N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is NHPWRBXCQXYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18(2)9-8-17-13-6-7-16-14-10-11(15)4-5-12(13)14/h4-7,10H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 263.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62639989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).