N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine

C14H18N4O2 — CID 115303024

IUPACN,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H18N4O2/c1-10(8-15-2)9-16-14-6-3-11-7-12(18(19)20)4-5-13(11)17-14/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyCINKIUSCINFYJL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds6

About N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine

N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine (PubChem CID 115303024) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
PubChem CID115303024
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H18N4O2/c1-10(8-15-2)9-16-14-6-3-11-7-12(18(19)20)4-5-13(11)17-14/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyCINKIUSCINFYJL-UHFFFAOYSA-N
XLogP2.41
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
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

N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
CID 97221261
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine (CID 115303024) is N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine is CNCC(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine?
The InChIKey is CINKIUSCINFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(8-15-2)9-16-14-6-3-11-7-12(18(19)20)4-5-13(11)17-14/h3-7,10,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115303024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).