2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline

C17H9FN2O3 — CID 102172088

IUPAC2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline
SMILESO=[N+]([O-])c1cc2cc(-c3ccc(F)cc3)oc2c2ncccc12
InChIInChI=1S/C17H9FN2O3/c18-12-5-3-10(4-6-12)15-9-11-8-14(20(21)22)13-2-1-7-19-16(13)17(11)23-15/h1-9H
InChIKeyILSBAEAODBCSAA-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.70
Rot. Bonds2

About 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline

2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline (PubChem CID 102172088) has the molecular formula C17H9FN2O3 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline
PubChem CID102172088
Molecular FormulaC17H9FN2O3
Molecular Weight308.27 g/mol
Exact Mass308.06
IUPAC Name2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline
SMILESO=[N+]([O-])c1cc2cc(-c3ccc(F)cc3)oc2c2ncccc12
InChIInChI=1S/C17H9FN2O3/c18-12-5-3-10(4-6-12)15-9-11-8-14(20(21)22)13-2-1-7-19-16(13)17(11)23-15/h1-9H
InChIKeyILSBAEAODBCSAA-UHFFFAOYSA-N
XLogP4.70
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.70
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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Related Compounds

N-[2-furyl(8-hydroxy-5-nitro-7-quinolinyl)methyl]butanamide
CID 2921022
N-[2-furyl(8-hydroxy-5-nitro-7-quinolinyl)methyl]-2-methylpropanamide
CID 2929429
N-[(Furan-2-YL)(8-hydroxy-5-nitroquinolin-7-YL)methyl]propanamide
CID 2921923
8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)
CID 206993
N-[(Furan-2-YL)(8-hydroxy-5-nitroquinolin-7-YL)methyl]acetamide
CID 2921485
N-[2-furyl(8-hydroxy-5-nitro-7-quinolinyl)methyl]pentanamide
CID 2921603
8-(1-Benzofuran-2-yl)-5-nitroquinoline
CID 145969584
4-methyl-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1497027
(5-Nitroquinolin-8-yl) 4-fluorobenzoate
CID 4400170
7-{2-Furyl[(3-nitrophenyl)amino]methyl}quinolin-8-ol
CID 4095109
2-Isopropyl-7,10,12-trimethyl-6H-(1,3)oxazolo(5,4c)pyrido(3,4-g)carbazole
CID 3035881
5-Chloro-2-(4-fluorophenyl)furo[3,2-h]quinoline
CID 102172084

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline?
The IUPAC name of 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline (CID 102172088) is 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline?
The canonical SMILES for 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline is O=[N+]([O-])c1cc2cc(-c3ccc(F)cc3)oc2c2ncccc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline?
The InChIKey is ILSBAEAODBCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O3/c18-12-5-3-10(4-6-12)15-9-11-8-14(20(21)22)13-2-1-7-19-16(13)17(11)23-15/h1-9H.
What are the key properties of 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline?
2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline has a molecular weight of 308.27 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nitrofuro[3,2-h]quinoline is sourced from PubChem (CID 102172088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).