N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine

C16H20N4O2 — CID 133354869

IUPACN'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1
InChIInChI=1S/C16H20N4O2/c1-2-19(12-5-6-12)11-10-17-14-7-8-15(20(21)22)13-4-3-9-18-16(13)14/h3-4,7-9,12,17H,2,5-6,10-11H2,1H3
InChIKeyDQYPZEAWEXDGMY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.04
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine (PubChem CID 133354869) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
PubChem CID133354869
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1
InChIInChI=1S/C16H20N4O2/c1-2-19(12-5-6-12)11-10-17-14-7-8-15(20(21)22)13-4-3-9-18-16(13)14/h3-4,7-9,12,17H,2,5-6,10-11H2,1H3
InChIKeyDQYPZEAWEXDGMY-UHFFFAOYSA-N
XLogP3.04
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.04
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

N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine (CID 133354869) is N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine is CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The InChIKey is DQYPZEAWEXDGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-19(12-5-6-12)11-10-17-14-7-8-15(20(21)22)13-4-3-9-18-16(13)14/h3-4,7-9,12,17H,2,5-6,10-11H2,1H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine has a molecular weight of 300.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine is sourced from PubChem (CID 133354869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).