6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine

C22H12ClFN4O2 — CID 134811819

IUPAC6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2cnc3c(-c4ccc(F)cc4Cl)cc4cccnc4n23)c1
InChIInChI=1S/C22H12ClFN4O2/c23-19-11-15(24)6-7-17(19)18-10-14-4-2-8-25-21(14)27-20(12-26-22(18)27)13-3-1-5-16(9-13)28(29)30/h1-12H
InChIKeyFKKYBWNUQGCFBZ-UHFFFAOYSA-N
MW418.82 g/mol
LogP5.92
Rot. Bonds3

About 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine

6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine (PubChem CID 134811819) has the molecular formula C22H12ClFN4O2 and a molecular weight of 418.82 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine
PubChem CID134811819
Molecular FormulaC22H12ClFN4O2
Molecular Weight418.82 g/mol
Exact Mass418.06
IUPAC Name6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2cnc3c(-c4ccc(F)cc4Cl)cc4cccnc4n23)c1
InChIInChI=1S/C22H12ClFN4O2/c23-19-11-15(24)6-7-17(19)18-10-14-4-2-8-25-21(14)27-20(12-26-22(18)27)13-3-1-5-16(9-13)28(29)30/h1-12H
InChIKeyFKKYBWNUQGCFBZ-UHFFFAOYSA-N
XLogP5.92
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.82
LogP ≤ 55.92
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

6-(2-chloro-4-fluorophenyl)-9-(4-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine
CID 134811818
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
8-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23988454
9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 46192932
3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 66498123
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 3432279
8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
CID 19381182
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
6-(3-nitrophenyl)-2-(quinolin-8-ylmethyl)pyridazin-3-one
CID 48925101

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine (CID 134811819) is 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine is O=[N+]([O-])c1cccc(-c2cnc3c(-c4ccc(F)cc4Cl)cc4cccnc4n23)c1.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine?
The InChIKey is FKKYBWNUQGCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClFN4O2/c23-19-11-15(24)6-7-17(19)18-10-14-4-2-8-25-21(14)27-20(12-26-22(18)27)13-3-1-5-16(9-13)28(29)30/h1-12H.
What are the key properties of 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine?
6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine has a molecular weight of 418.82 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134811819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).