N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine

C13H16N4O2 — CID 114900667

IUPACN'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H16N4O2/c1-2-16(8-7-14)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyACROHBMEWOHVLP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.93
Rot. Bonds5

About N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine (PubChem CID 114900667) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
PubChem CID114900667
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H16N4O2/c1-2-16(8-7-14)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyACROHBMEWOHVLP-UHFFFAOYSA-N
XLogP1.93
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
CID 61425481
N'-(2-bromo-4-nitrophenyl)-N'-ethylethane-1,2-diamine
CID 114900661
N'-ethyl-N'-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethane-1,2-diamine
CID 90277351
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
2-N-butyl-2-N-ethylquinoline-2,6-diamine
CID 43383017
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
CID 63301397
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine (CID 114900667) is N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine is CCN(CCN)c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is ACROHBMEWOHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-16(8-7-14)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114900667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).