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'}

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Related Compounds

3-morpholino-N-(3-nitrobenzy l)-7-(trifluoromethyl)quinolin-5-amine
CID 52937219
N-(3-morpholin-4-ylpropyl)-5-nitroquinolin-8-amine
CID 2870896
N-(2-morpholinoethyl)-5-nitro-quinolin-4-amine
CID 372043
N-[4-(Morpholin-4-YL)phenyl]-5,7-dinitroquinolin-8-amine
CID 46495086
N-[3-(morpholin-4-yl)propyl]-8-nitroquinolin-5-amine
CID 3136942
8-{4-[3-(Morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}-5-nitroquinoline
CID 2868466
N-(2-morpholin-4-ylethyl)-5-nitroquinolin-4-amine;hydrochloride
CID 372042
N-(5-Bromo-2-morpholinophenyl)-7-fluoro-3-methyl-2-(pyridin-2-yl)-quinolin-4-amine
CID 59631314
N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-5,8-difluoroquinolin-4-amine
CID 134361706
N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-8-fluoroquinolin-4-amine
CID 134361728
N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-8-chloro-5-fluoroquinolin-4-amine
CID 134361745
N-(3-bromo-5-morpholin-4-yl-2-nitrophenyl)-8-chloro-6-fluoroquinolin-4-amine
CID 134361962

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).