(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C21H17FN2O4 — CID 1267162

IUPAC(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4/c22-14-7-9-15(10-8-14)23-18-5-2-6-19(25)21(18)17(12-20(23)26)13-3-1-4-16(11-13)24(27)28/h1,3-4,7-11,17H,2,5-6,12H2/t17-/m1/s1
InChIKeyJKRUCNDPIOCQCG-QGZVFWFLSA-N
MW380.38 g/mol
LogP4.26
Rot. Bonds3

About (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 1267162) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID1267162
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4/c22-14-7-9-15(10-8-14)23-18-5-2-6-19(25)21(18)17(12-20(23)26)13-3-1-4-16(11-13)24(27)28/h1,3-4,7-11,17H,2,5-6,12H2/t17-/m1/s1
InChIKeyJKRUCNDPIOCQCG-QGZVFWFLSA-N
XLogP4.26
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
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

1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920417
(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1267005
7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4540355
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
4-(3-nitrophenyl)-1,3-diphenyl-4,6,7,8-tetrahydroquinazoline-2,5-dione
CID 21237255
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
4-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294750
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887269
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802327
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859455
4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 54223975
1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999030

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 1267162) is (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is JKRUCNDPIOCQCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-14-7-9-15(10-8-14)23-18-5-2-6-19(25)21(18)17(12-20(23)26)13-3-1-4-16(11-13)24(27)28/h1,3-4,7-11,17H,2,5-6,12H2/t17-/m1/s1.
What are the key properties of (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 380.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 1267162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).