2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline

C15H17N3O2 — CID 133357796

IUPAC2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
SMILESCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1C
InChIInChI=1S/C15H17N3O2/c1-10-7-8-17(11(10)2)15-6-3-12-9-13(18(19)20)4-5-14(12)16-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCAVLKEWOVUDHQJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.38
Rot. Bonds2

About 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline

2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline (PubChem CID 133357796) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
PubChem CID133357796
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
SMILESCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1C
InChIInChI=1S/C15H17N3O2/c1-10-7-8-17(11(10)2)15-6-3-12-9-13(18(19)20)4-5-14(12)16-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCAVLKEWOVUDHQJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline?
The IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline (CID 133357796) is 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline.
What is the SMILES notation for 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline?
The canonical SMILES for 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline is CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline?
The InChIKey is CAVLKEWOVUDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-8-17(11(10)2)15-6-3-12-9-13(18(19)20)4-5-14(12)16-15/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline?
2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline has a molecular weight of 271.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline is sourced from PubChem (CID 133357796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).