2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline

C12H9N3O2 — CID 12524049

IUPAC2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
SMILESCc1cc2cc3ncc([N+](=O)[O-])cc3cc2[nH]1
InChIInChI=1S/C12H9N3O2/c1-7-2-8-4-11-9(5-12(8)14-7)3-10(6-13-11)15(16)17/h2-6,14H,1H3
InChIKeyAVPCNRRPLJTQLR-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline

2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline (PubChem CID 12524049) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline.

Molecular Properties

Compound Name2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
PubChem CID12524049
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
SMILESCc1cc2cc3ncc([N+](=O)[O-])cc3cc2[nH]1
InChIInChI=1S/C12H9N3O2/c1-7-2-8-4-11-9(5-12(8)14-7)3-10(6-13-11)15(16)17/h2-6,14H,1H3
InChIKeyAVPCNRRPLJTQLR-UHFFFAOYSA-N
XLogP2.93
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline?
The IUPAC name of 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline (CID 12524049) is 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline.
What is the SMILES notation for 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline?
The canonical SMILES for 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline is Cc1cc2cc3ncc([N+](=O)[O-])cc3cc2[nH]1.
What is the InChIKey of 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline?
The InChIKey is AVPCNRRPLJTQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-7-2-8-4-11-9(5-12(8)14-7)3-10(6-13-11)15(16)17/h2-6,14H,1H3.
What are the key properties of 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline?
2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline has a molecular weight of 227.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline is sourced from PubChem (CID 12524049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).