6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C18H14FN3O4 — CID 146132552

IUPAC6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14FN3O4/c1-10(11-3-2-4-13(7-11)22(25)26)20-18(24)15-9-17(23)21-16-6-5-12(19)8-14(15)16/h2-10H,1H3,(H,20,24)(H,21,23)
InChIKeySECYEIGDNGDPLL-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.07
Rot. Bonds4

About 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 146132552) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID146132552
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14FN3O4/c1-10(11-3-2-4-13(7-11)22(25)26)20-18(24)15-9-17(23)21-16-6-5-12(19)8-14(15)16/h2-10H,1H3,(H,20,24)(H,21,23)
InChIKeySECYEIGDNGDPLL-UHFFFAOYSA-N
XLogP3.07
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.07
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

2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55821144
2-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062698
2,3,4-trimethoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55878127
6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide
CID 154861329
4-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062545
N-[1-(3-nitrophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 54867729
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55924817
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081672

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 146132552) is 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SECYEIGDNGDPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-10(11-3-2-4-13(7-11)22(25)26)20-18(24)15-9-17(23)21-16-6-5-12(19)8-14(15)16/h2-10H,1H3,(H,20,24)(H,21,23).
What are the key properties of 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 355.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 146132552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).