1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine

C14H15N5O2 — CID 11449001

IUPAC1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1cnc2c(N)nc3ccc([N+](=O)[O-])cc3c21
InChIInChI=1S/C14H15N5O2/c1-8(2)6-18-7-16-12-13(18)10-5-9(19(20)21)3-4-11(10)17-14(12)15/h3-5,7-8H,6H2,1-2H3,(H2,15,17)
InChIKeyZLCQXXAIEDJOQQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine

1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine (PubChem CID 11449001) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine
PubChem CID11449001
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1cnc2c(N)nc3ccc([N+](=O)[O-])cc3c21
InChIInChI=1S/C14H15N5O2/c1-8(2)6-18-7-16-12-13(18)10-5-9(19(20)21)3-4-11(10)17-14(12)15/h3-5,7-8H,6H2,1-2H3,(H2,15,17)
InChIKeyZLCQXXAIEDJOQQ-UHFFFAOYSA-N
XLogP2.73
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine (CID 11449001) is 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine is CC(C)Cn1cnc2c(N)nc3ccc([N+](=O)[O-])cc3c21.
What is the InChIKey of 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine?
The InChIKey is ZLCQXXAIEDJOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8(2)6-18-7-16-12-13(18)10-5-9(19(20)21)3-4-11(10)17-14(12)15/h3-5,7-8H,6H2,1-2H3,(H2,15,17).
What are the key properties of 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine?
1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine has a molecular weight of 285.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-nitroimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11449001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).