N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine

C21H33N3O — CID 78324298

IUPACN',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc2c(NCCN(CC)CC)ccnc2c1
InChIInChI=1S/C21H33N3O/c1-4-7-8-9-16-25-18-10-11-19-20(12-13-22-21(19)17-18)23-14-15-24(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,23)
InChIKeyOFUHRPFGVDSFTJ-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.95
Rot. Bonds12

About N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine (PubChem CID 78324298) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
PubChem CID78324298
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc2c(NCCN(CC)CC)ccnc2c1
InChIInChI=1S/C21H33N3O/c1-4-7-8-9-16-25-18-10-11-19-20(12-13-22-21(19)17-18)23-14-15-24(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,23)
InChIKeyOFUHRPFGVDSFTJ-UHFFFAOYSA-N
XLogP4.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-hexoxyquinoline
CID 78323998
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
7-hexoxy-4-(7-hexoxyquinolin-4-yl)sulfanylquinoline
CID 139772929
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
CID 12604276
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine (CID 78324298) is N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine is CCCCCCOc1ccc2c(NCCN(CC)CC)ccnc2c1.
What is the InChIKey of N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is OFUHRPFGVDSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-7-8-9-16-25-18-10-11-19-20(12-13-22-21(19)17-18)23-14-15-24(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,23).
What are the key properties of N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 343.51 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 78324298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).