4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine

C12H10FN3O2 — CID 19034630

IUPAC4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine
SMILESNc1nc2ccccc2c(C2(F)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c13-12(5-6-12)9-7-3-1-2-4-8(7)15-11(14)10(9)16(17)18/h1-4H,5-6H2,(H2,14,15)
InChIKeyTYPURHOZKMOSRQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.68
Rot. Bonds2

About 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine

4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine (PubChem CID 19034630) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine.

Molecular Properties

Compound Name4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine
PubChem CID19034630
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine
SMILESNc1nc2ccccc2c(C2(F)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c13-12(5-6-12)9-7-3-1-2-4-8(7)15-11(14)10(9)16(17)18/h1-4H,5-6H2,(H2,14,15)
InChIKeyTYPURHOZKMOSRQ-UHFFFAOYSA-N
XLogP2.68
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine?
The IUPAC name of 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine (CID 19034630) is 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine.
What is the SMILES notation for 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine?
The canonical SMILES for 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine is Nc1nc2ccccc2c(C2(F)CC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine?
The InChIKey is TYPURHOZKMOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-12(5-6-12)9-7-3-1-2-4-8(7)15-11(14)10(9)16(17)18/h1-4H,5-6H2,(H2,14,15).
What are the key properties of 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine?
4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine has a molecular weight of 247.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopropyl)-3-nitroquinolin-2-amine is sourced from PubChem (CID 19034630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).