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

C15H20ClN3 — CID 55090859

IUPACN'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3/c1-3-7-17-9-10-19(2)15-6-8-18-14-11-12(16)4-5-13(14)15/h4-6,8,11,17H,3,7,9-10H2,1-2H3
InChIKeyLBHIQAYCBMYFIP-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.32
Rot. Bonds6

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

N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 55090859) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID55090859
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3/c1-3-7-17-9-10-19(2)15-6-8-18-14-11-12(16)4-5-13(14)15/h4-6,8,11,17H,3,7,9-10H2,1-2H3
InChIKeyLBHIQAYCBMYFIP-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62593732
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
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
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
N-butyl-7-chloroquinolin-4-amine
CID 10037042
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (CID 55090859) is N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is LBHIQAYCBMYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-7-17-9-10-19(2)15-6-8-18-14-11-12(16)4-5-13(14)15/h4-6,8,11,17H,3,7,9-10H2,1-2H3.
What are the key properties of N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 277.80 g/mol, XLogP of 3.32, 6 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'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 55090859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).