7-methyl-5-nitroquinoline

C10H8N2O2 — CID 137347294

IUPAC7-methyl-5-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c2cccnc2c1
InChIInChI=1S/C10H8N2O2/c1-7-5-9-8(3-2-4-11-9)10(6-7)12(13)14/h2-6H,1H3
InChIKeyHRLBIYWIJVMVQI-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.45
Rot. Bonds1

About 7-methyl-5-nitroquinoline

7-methyl-5-nitroquinoline (PubChem CID 137347294) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 7-methyl-5-nitroquinoline.

Molecular Properties

Compound Name7-methyl-5-nitroquinoline
PubChem CID137347294
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name7-methyl-5-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c2cccnc2c1
InChIInChI=1S/C10H8N2O2/c1-7-5-9-8(3-2-4-11-9)10(6-7)12(13)14/h2-6H,1H3
InChIKeyHRLBIYWIJVMVQI-UHFFFAOYSA-N
XLogP2.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-methyl-7-nitroquinoline
CID 825902
5-bromo-8-methyl-6-nitroquinoline
CID 11207866
5,6-dinitroquinoline
CID 119087514
CID 88627944
CID 88627944
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
7-methylquinoline-5-carboxamide
CID 175838223
N-(5,7-dinitroquinolin-8-yl)-4-methylbenzamide
CID 5213337
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
7-bromo-5-nitroquinolin-8-ol
CID 14125599

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-nitroquinoline?
The IUPAC name of 7-methyl-5-nitroquinoline (CID 137347294) is 7-methyl-5-nitroquinoline.
What is the SMILES notation for 7-methyl-5-nitroquinoline?
The canonical SMILES for 7-methyl-5-nitroquinoline is Cc1cc([N+](=O)[O-])c2cccnc2c1.
What is the InChIKey of 7-methyl-5-nitroquinoline?
The InChIKey is HRLBIYWIJVMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-5-9-8(3-2-4-11-9)10(6-7)12(13)14/h2-6H,1H3.
What are the key properties of 7-methyl-5-nitroquinoline?
7-methyl-5-nitroquinoline has a molecular weight of 188.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-nitroquinoline is sourced from PubChem (CID 137347294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).