N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine

C22H22N4O2 — CID 118717457

IUPACN,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
InChIInChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYUGFJKZNDFXBRF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.32
Rot. Bonds7

About N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine

N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine (PubChem CID 118717457) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
PubChem CID118717457
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
InChIInChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYUGFJKZNDFXBRF-UHFFFAOYSA-N
XLogP4.32
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145
4,7-dimethoxyquinoline
CID 20743716
4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
CID 166845406
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56595410
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine (CID 118717457) is N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine is COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1.
What is the InChIKey of N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is YUGFJKZNDFXBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 374.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 118717457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).