3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline

C25H14Cl2N2O2 — CID 44613757

IUPAC3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H14Cl2N2O2/c26-17-8-11-20(22(27)13-17)24-14-21(16-5-9-18(10-6-16)29(30)31)25-19-4-2-1-3-15(19)7-12-23(25)28-24/h1-14H
InChIKeyNNWSMJQJGDLWCX-UHFFFAOYSA-N
MW445.31 g/mol
LogP7.94
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline

3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline (PubChem CID 44613757) has the molecular formula C25H14Cl2N2O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
PubChem CID44613757
Molecular FormulaC25H14Cl2N2O2
Molecular Weight445.31 g/mol
Exact Mass444.04
IUPAC Name3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H14Cl2N2O2/c26-17-8-11-20(22(27)13-17)24-14-21(16-5-9-18(10-6-16)29(30)31)25-19-4-2-1-3-15(19)7-12-23(25)28-24/h1-14H
InChIKeyNNWSMJQJGDLWCX-UHFFFAOYSA-N
XLogP7.94
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.31
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 25208156
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
1-(4-nitrophenyl)phenanthren-4-amine
CID 174932907
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
2-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5176488
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
CID 44613979
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
12-(2,4-dichlorophenyl)-11-azatetracyclo[8.6.0.02,7.013,16]hexadeca-1(10),2,4,6,8,11,13(16)-heptaene
CID 102369374

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline (CID 44613757) is 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
The InChIKey is NNWSMJQJGDLWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl2N2O2/c26-17-8-11-20(22(27)13-17)24-14-21(16-5-9-18(10-6-16)29(30)31)25-19-4-2-1-3-15(19)7-12-23(25)28-24/h1-14H.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline?
3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline has a molecular weight of 445.31 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline is sourced from PubChem (CID 44613757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).