6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline

C10H12N2O2 — CID 15462861

IUPAC6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-10-8(4-7)5-9(6-11-10)12(13)14/h5-7H,2-4H2,1H3
InChIKeyPQLXNBHHLPQVGS-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.11
Rot. Bonds1

About 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline

6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline (PubChem CID 15462861) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
PubChem CID15462861
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-10-8(4-7)5-9(6-11-10)12(13)14/h5-7H,2-4H2,1H3
InChIKeyPQLXNBHHLPQVGS-UHFFFAOYSA-N
XLogP2.11
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline (CID 15462861) is 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline is CC1CCc2ncc([N+](=O)[O-])cc2C1.
What is the InChIKey of 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline?
The InChIKey is PQLXNBHHLPQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-10-8(4-7)5-9(6-11-10)12(13)14/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline?
6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline has a molecular weight of 192.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 15462861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).