N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine

C19H16BrFN4O3 — CID 134362165

IUPACN-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine
SMILESO=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C19H16BrFN4O3/c20-15-10-13(24-5-7-28-8-6-24)11-18(19(15)25(26)27)23-16-3-4-22-17-9-12(21)1-2-14(16)17/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeyKZJTZBZXCKSJSU-UHFFFAOYSA-N
MW447.26 g/mol
LogP4.62
Rot. Bonds4

About N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine

N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine (PubChem CID 134362165) has the molecular formula C19H16BrFN4O3 and a molecular weight of 447.26 g/mol. Its IUPAC name is N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine
PubChem CID134362165
Molecular FormulaC19H16BrFN4O3
Molecular Weight447.26 g/mol
Exact Mass446.04
IUPAC NameN-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine
SMILESO=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C19H16BrFN4O3/c20-15-10-13(24-5-7-28-8-6-24)11-18(19(15)25(26)27)23-16-3-4-22-17-9-12(21)1-2-14(16)17/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeyKZJTZBZXCKSJSU-UHFFFAOYSA-N
XLogP4.62
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine?
The IUPAC name of N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine (CID 134362165) is N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine.
What is the SMILES notation for N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine?
The canonical SMILES for N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine is O=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Nc1ccnc2cc(F)ccc12.
What is the InChIKey of N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine?
The InChIKey is KZJTZBZXCKSJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN4O3/c20-15-10-13(24-5-7-28-8-6-24)11-18(19(15)25(26)27)23-16-3-4-22-17-9-12(21)1-2-14(16)17/h1-4,9-11H,5-8H2,(H,22,23).
What are the key properties of N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine?
N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine has a molecular weight of 447.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-7-fluoroquinolin-4-amine is sourced from PubChem (CID 134362165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).