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

C22H16N2O3 — CID 632059

IUPAC2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C22H16N2O3/c1-27-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(24(25)26)9-12-21(20)23-22/h2-14H,1H3
InChIKeyMKTGMJHRKSOICF-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.49
Rot. Bonds4

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

2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline (PubChem CID 632059) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
PubChem CID632059
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C22H16N2O3/c1-27-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(24(25)26)9-12-21(20)23-22/h2-14H,1H3
InChIKeyMKTGMJHRKSOICF-UHFFFAOYSA-N
XLogP5.49
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.49
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-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
CID 166203216
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
CID 59685790
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-nitrophenyl)-4-phenylquinoline-6-carboxylate
CID 126024991
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
2-(4-methoxyphenyl)-4-methylsulfanyl-6-nitroquinazoline
CID 629928

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The IUPAC name of 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline (CID 632059) is 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline?
The InChIKey is MKTGMJHRKSOICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-27-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(24(25)26)9-12-21(20)23-22/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline?
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline has a molecular weight of 356.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline is sourced from PubChem (CID 632059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).