3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one

C19H17N3O3 — CID 2879094

IUPAC3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3O3/c23-19-18(22(24)25)17(20-12-6-7-13-20)15-10-4-5-11-16(15)21(19)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyFMFCAPHXUBSQEE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.50
Rot. Bonds3

About 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one

3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one (PubChem CID 2879094) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
PubChem CID2879094
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3O3/c23-19-18(22(24)25)17(20-12-6-7-13-20)15-10-4-5-11-16(15)21(19)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyFMFCAPHXUBSQEE-UHFFFAOYSA-N
XLogP3.50
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one?
The IUPAC name of 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one (CID 2879094) is 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one.
What is the SMILES notation for 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one?
The canonical SMILES for 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one is O=c1c([N+](=O)[O-])c(N2CCCC2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one?
The InChIKey is FMFCAPHXUBSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19-18(22(24)25)17(20-12-6-7-13-20)15-10-4-5-11-16(15)21(19)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one?
3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one is sourced from PubChem (CID 2879094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).