1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine

C12H14N4O2 — CID 3349985

IUPAC1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H14N4O2/c1-8(13)7-15-10-4-5-11(16(17)18)9-3-2-6-14-12(9)10/h2-6,8,15H,7,13H2,1H3
InChIKeyURZDYCPQPIZOHT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds4

About 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine

1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine (PubChem CID 3349985) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
PubChem CID3349985
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H14N4O2/c1-8(13)7-15-10-4-5-11(16(17)18)9-3-2-6-14-12(9)10/h2-6,8,15H,7,13H2,1H3
InChIKeyURZDYCPQPIZOHT-UHFFFAOYSA-N
XLogP1.90
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
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

1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
CID 133351529
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
1-(4-fluorophenoxy)-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
CID 133272703
3-methyl-2-[(5-nitroquinolin-8-yl)amino]butanamide
CID 106346065

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine (CID 3349985) is 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine is CC(N)CNc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine?
The InChIKey is URZDYCPQPIZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(13)7-15-10-4-5-11(16(17)18)9-3-2-6-14-12(9)10/h2-6,8,15H,7,13H2,1H3.
What are the key properties of 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine?
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine has a molecular weight of 246.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine is sourced from PubChem (CID 3349985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).