N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine

C13H16N4O2 — CID 22252609

IUPACN',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H16N4O2/c1-16(2)8-7-15-12-5-6-14-13-9-10(17(18)19)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyCJVYOVSLXXQDKM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.12
Rot. Bonds5

About N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine (PubChem CID 22252609) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine
PubChem CID22252609
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H16N4O2/c1-16(2)8-7-15-12-5-6-14-13-9-10(17(18)19)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyCJVYOVSLXXQDKM-UHFFFAOYSA-N
XLogP2.12
TPSA71.30 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 ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine (CID 22252609) is N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine is CN(C)CCNc1ccnc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is CJVYOVSLXXQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16(2)8-7-15-12-5-6-14-13-9-10(17(18)19)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(7-nitroquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 22252609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).