N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide

C20H12FN3O3 — CID 60528342

IUPACN-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C20H12FN3O3/c21-17-8-7-13(24(26)27)11-18(17)23-20(25)16-10-12-4-1-2-5-14(12)15-6-3-9-22-19(15)16/h1-11H,(H,23,25)
InChIKeyYJNMEOZEPJLNKS-UHFFFAOYSA-N
MW361.33 g/mol
LogP4.69
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide

N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide (PubChem CID 60528342) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
PubChem CID60528342
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC NameN-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C20H12FN3O3/c21-17-8-7-13(24(26)27)11-18(17)23-20(25)16-10-12-4-1-2-5-14(12)15-6-3-9-22-19(15)16/h1-11H,(H,23,25)
InChIKeyYJNMEOZEPJLNKS-UHFFFAOYSA-N
XLogP4.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide (CID 60528342) is N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide?
The InChIKey is YJNMEOZEPJLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c21-17-8-7-13(24(26)27)11-18(17)23-20(25)16-10-12-4-1-2-5-14(12)15-6-3-9-22-19(15)16/h1-11H,(H,23,25).
What are the key properties of N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide?
N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 60528342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).