N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine

C16H17N5O2 — CID 133376544

IUPACN-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
SMILESCN(CCCn1ccnc1)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C16H17N5O2/c1-19(9-3-10-20-11-8-17-12-20)15-6-5-14(21(22)23)13-4-2-7-18-16(13)15/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyAQHMZESZPGLJCY-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.87
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine

N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine (PubChem CID 133376544) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
PubChem CID133376544
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
SMILESCN(CCCn1ccnc1)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C16H17N5O2/c1-19(9-3-10-20-11-8-17-12-20)15-6-5-14(21(22)23)13-4-2-7-18-16(13)15/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyAQHMZESZPGLJCY-UHFFFAOYSA-N
XLogP2.87
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-diethyl-5-nitroquinolin-8-amine
CID 2843950
2-[methyl-(5-nitroquinolin-8-yl)amino]acetic acid
CID 43450052
N-methyl-N-(2-methylprop-2-enyl)-5-nitroquinolin-8-amine
CID 133439131
2-fluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-4-nitroaniline
CID 133376629
7-[3-imidazol-1-ylpropyl(methyl)amino]-6-nitro-3H-quinazolin-4-one
CID 137248377
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-nitroquinolin-8-amine
CID 55532599
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-8-nitroisoquinolin-5-amine
CID 133398230
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine (CID 133376544) is N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine is CN(CCCn1ccnc1)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine?
The InChIKey is AQHMZESZPGLJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19(9-3-10-20-11-8-17-12-20)15-6-5-14(21(22)23)13-4-2-7-18-16(13)15/h2,4-8,11-12H,3,9-10H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine?
N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine has a molecular weight of 311.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine is sourced from PubChem (CID 133376544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).