N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine

C14H18N4O2 — CID 10107400

IUPACN',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1ccnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-14-6-8-16-13-5-4-11(18(19)20)10-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyYRCLBSXRUSAIST-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds6

About N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine (PubChem CID 10107400) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine
PubChem CID10107400
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1ccnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-14-6-8-16-13-5-4-11(18(19)20)10-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyYRCLBSXRUSAIST-UHFFFAOYSA-N
XLogP2.51
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(6-nitroquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine (CID 10107400) is N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine is CN(C)CCCNc1ccnc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine?
The InChIKey is YRCLBSXRUSAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-14-6-8-16-13-5-4-11(18(19)20)10-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16).
What are the key properties of N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10107400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).