1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one

C20H12FN3O3 — CID 139685137

IUPAC1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one
SMILESO=c1c([N+](=O)[O-])cn(-c2ccc(F)cc2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H12FN3O3/c21-15-2-4-16(5-3-15)23-12-19(24(26)27)20(25)17-6-1-14(11-18(17)23)13-7-9-22-10-8-13/h1-12H
InChIKeyWYEKVDAUGAUABW-UHFFFAOYSA-N
MW361.33 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one

1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one (PubChem CID 139685137) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one
PubChem CID139685137
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC Name1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one
SMILESO=c1c([N+](=O)[O-])cn(-c2ccc(F)cc2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H12FN3O3/c21-15-2-4-16(5-3-15)23-12-19(24(26)27)20(25)17-6-1-14(11-18(17)23)13-7-9-22-10-8-13/h1-12H
InChIKeyWYEKVDAUGAUABW-UHFFFAOYSA-N
XLogP4.10
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 88616639
9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione
CID 10067863
2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
CID 19959079
1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one
CID 139691233
7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one
CID 1208371
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701
4-(4-tert-butyl-3-nitrophenyl)pyridine
CID 141338733
4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine
CID 46317127
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
2-(4-fluorophenyl)-4-nitro-1H-pyrazol-5-one
CID 141287326
6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole
CID 134230868
3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
CID 15091340

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one (CID 139685137) is 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one is O=c1c([N+](=O)[O-])cn(-c2ccc(F)cc2)c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one?
The InChIKey is WYEKVDAUGAUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c21-15-2-4-16(5-3-15)23-12-19(24(26)27)20(25)17-6-1-14(11-18(17)23)13-7-9-22-10-8-13/h1-12H.
What are the key properties of 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one?
1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one has a molecular weight of 361.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one is sourced from PubChem (CID 139685137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).