2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline

C22H15FN2O3 — CID 4879276

IUPAC2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1
InChIInChI=1S/C22H15FN2O3/c1-28-16-8-9-17(20(23)12-16)22-13-18(14-5-3-2-4-6-14)19-11-15(25(26)27)7-10-21(19)24-22/h2-13H,1H3
InChIKeyBDLUQLMMMYRZMX-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.62
Rot. Bonds4

About 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline

2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline (PubChem CID 4879276) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
PubChem CID4879276
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1
InChIInChI=1S/C22H15FN2O3/c1-28-16-8-9-17(20(23)12-16)22-13-18(14-5-3-2-4-6-14)19-11-15(25(26)27)7-10-21(19)24-22/h2-13H,1H3
InChIKeyBDLUQLMMMYRZMX-UHFFFAOYSA-N
XLogP5.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.62
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

2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
CID 166203216
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
2-(4-methoxyphenyl)-4-methylsulfanyl-6-nitroquinazoline
CID 629928
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline (CID 4879276) is 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The InChIKey is BDLUQLMMMYRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c1-28-16-8-9-17(20(23)12-16)22-13-18(14-5-3-2-4-6-14)19-11-15(25(26)27)7-10-21(19)24-22/h2-13H,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline?
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline has a molecular weight of 374.37 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline is sourced from PubChem (CID 4879276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).