N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide

C17H14FN3O4 — CID 91649819

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H14FN3O4/c18-13-9-14-11(4-5-16(22)19-14)8-15(13)20-17(23)7-10-2-1-3-12(6-10)21(24)25/h1-3,6,8-9H,4-5,7H2,(H,19,22)(H,20,23)
InChIKeyLFMAKCWUGFTISH-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.80
Rot. Bonds4

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 91649819) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
PubChem CID91649819
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H14FN3O4/c18-13-9-14-11(4-5-16(22)19-14)8-15(13)20-17(23)7-10-2-1-3-12(6-10)21(24)25/h1-3,6,8-9H,4-5,7H2,(H,19,22)(H,20,23)
InChIKeyLFMAKCWUGFTISH-UHFFFAOYSA-N
XLogP2.80
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
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-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 99585344
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 39281943
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide (CID 91649819) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is LFMAKCWUGFTISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c18-13-9-14-11(4-5-16(22)19-14)8-15(13)20-17(23)7-10-2-1-3-12(6-10)21(24)25/h1-3,6,8-9H,4-5,7H2,(H,19,22)(H,20,23).
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 91649819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).