N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine

C15H20N4O2 — CID 10039753

IUPACN',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc2nccc(NCCCN(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-11-9-14-12(10-15(11)19(20)21)13(5-7-17-14)16-6-4-8-18(2)3/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)
InChIKeyDVFNALLNKWMVHG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.82
Rot. Bonds6

About N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine (PubChem CID 10039753) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine
PubChem CID10039753
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc2nccc(NCCCN(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-11-9-14-12(10-15(11)19(20)21)13(5-7-17-14)16-6-4-8-18(2)3/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)
InChIKeyDVFNALLNKWMVHG-UHFFFAOYSA-N
XLogP2.82
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.82
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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Related Compounds

4-Nitroquinoline 1-Oxide
CID 5955
Nitracrine
CID 20628
5-Nitro-1,10-phenanthroline
CID 72790
6-Aminoquinoline
CID 11373
5-Nitroquinoline
CID 11829
Nitracrine dihydrochloride
CID 23015
3-Methyl-4-nitroquinoline N-oxide
CID 26446
8-Methyl-5-nitroquinoline
CID 246300
6-Methyl-5-nitroquinoline
CID 90009
6-Nitroquinoline
CID 11945
Quinoline, 4-nitro-
CID 77341
7-Methyl-8-nitroquinoline
CID 81981

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine (CID 10039753) is N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine is Cc1cc2nccc(NCCCN(C)C)c2cc1[N+](=O)[O-].
What is the InChIKey of N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine?
The InChIKey is DVFNALLNKWMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-14-12(10-15(11)19(20)21)13(5-7-17-14)16-6-4-8-18(2)3/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17).
What are the key properties of N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.82, 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-(7-methyl-6-nitroquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10039753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).