2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine

C12H10FN3O2 — CID 67625850

IUPAC2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine
SMILESNC1CC1c1nc2ccccc2c(F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c13-10-6-3-1-2-4-9(6)15-11(7-5-8(7)14)12(10)16(17)18/h1-4,7-8H,5,14H2
InChIKeySKMIIOFVTZYKJX-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine

2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine (PubChem CID 67625850) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine
PubChem CID67625850
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine
SMILESNC1CC1c1nc2ccccc2c(F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c13-10-6-3-1-2-4-9(6)15-11(7-5-8(7)14)12(10)16(17)18/h1-4,7-8H,5,14H2
InChIKeySKMIIOFVTZYKJX-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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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Related Compounds

2-(4-fluoro-3-nitro-2-pyridinyl)cyclopropan-1-amine
CID 67625290
2-amino-3-nitroquinoline-4-sulfonamide
CID 19034738
2,3,4-trifluoroquinoline
CID 70448794
4-nitro-2-(trifluoromethyl)quinolin-3-amine
CID 19034731
2-(2-chloroethenyl)-4-nitroquinolin-3-amine
CID 54340774
3-amino-4-nitroquinoline-2-carboxamide
CID 19034639
4-chloro-2-methyl-3-nitroquinoline
CID 12673397
1-(2-amino-3-nitroquinolin-4-yl)ethanone
CID 19034766
4-nitro-2-prop-2-enylquinolin-3-amine
CID 67636653
4-chloro-N-methyl-3-nitroquinolin-2-amine
CID 70975596
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
3-nitro-4-pentylquinolin-2-amine
CID 67636144

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine?
The IUPAC name of 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine (CID 67625850) is 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine is NC1CC1c1nc2ccccc2c(F)c1[N+](=O)[O-].
What is the InChIKey of 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine?
The InChIKey is SKMIIOFVTZYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-6-3-1-2-4-9(6)15-11(7-5-8(7)14)12(10)16(17)18/h1-4,7-8H,5,14H2.
What are the key properties of 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine?
2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine has a molecular weight of 247.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroquinolin-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 67625850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).