4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one

C19H17FN4O4 — CID 167784016

IUPAC4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3cnccc32)CN1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17FN4O4/c20-15-4-3-14(9-17(15)24(27)28)23-11-13(8-18(23)25)19(26)22-7-1-2-12-10-21-6-5-16(12)22/h3-6,9-10,13H,1-2,7-8,11H2
InChIKeyXKWUTLKZKBUKMX-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.46
Rot. Bonds3

About 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one

4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one (PubChem CID 167784016) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
PubChem CID167784016
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3cnccc32)CN1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17FN4O4/c20-15-4-3-14(9-17(15)24(27)28)23-11-13(8-18(23)25)19(26)22-7-1-2-12-10-21-6-5-16(12)22/h3-6,9-10,13H,1-2,7-8,11H2
InChIKeyXKWUTLKZKBUKMX-UHFFFAOYSA-N
XLogP2.46
TPSA96.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.46
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

4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166199165
4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 167809989
4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166206560
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 166194357
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 46538960
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 55807852
N-cyclooctyl-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572698
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46538902
N,N-diethyl-4-[1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 55571165
(3S)-1-(3-nitro-4-pyrrolidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 25470839

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one (CID 167784016) is 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCc3cnccc32)CN1c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The InChIKey is XKWUTLKZKBUKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c20-15-4-3-14(9-17(15)24(27)28)23-11-13(8-18(23)25)19(26)22-7-1-2-12-10-21-6-5-16(12)22/h3-6,9-10,13H,1-2,7-8,11H2.
What are the key properties of 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one has a molecular weight of 384.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 167784016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).