5-(2-chloronaphthalen-1-yl)-6-nitroquinoline

C19H11ClN2O2 — CID 143854531

IUPAC5-(2-chloronaphthalen-1-yl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2ncccc2c1-c1c(Cl)ccc2ccccc12
InChIInChI=1S/C19H11ClN2O2/c20-15-8-7-12-4-1-2-5-13(12)18(15)19-14-6-3-11-21-16(14)9-10-17(19)22(23)24/h1-11H
InChIKeyOVVACINFAZHOBF-UHFFFAOYSA-N
MW334.76 g/mol
LogP5.62
Rot. Bonds2

About 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline

5-(2-chloronaphthalen-1-yl)-6-nitroquinoline (PubChem CID 143854531) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline.

Molecular Properties

Compound Name5-(2-chloronaphthalen-1-yl)-6-nitroquinoline
PubChem CID143854531
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name5-(2-chloronaphthalen-1-yl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2ncccc2c1-c1c(Cl)ccc2ccccc12
InChIInChI=1S/C19H11ClN2O2/c20-15-8-7-12-4-1-2-5-13(12)18(15)19-14-6-3-11-21-16(14)9-10-17(19)22(23)24/h1-11H
InChIKeyOVVACINFAZHOBF-UHFFFAOYSA-N
XLogP5.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.76
LogP ≤ 55.62
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'}

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Related Compounds

5,6-dinitroquinoline
CID 119087514
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
nitric acid;1,7-phenanthroline
CID 175111698
CID 88627944
CID 88627944
2-(2-nitronaphthalen-1-yl)thianthrene
CID 145442067
benzo[f]quinoline;iodomethane
CID 21121996
7-nitroquinolin-8-amine
CID 12663942
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-chloro-4-nitro-1H-indole;quinoline
CID 174954659
4-chloro-2-[2-(2-methylbutyl)-3-pyridinyl]-7-nitroisoindole-1,3-dione
CID 144874768
4-chloro-7-nitro-2-benzofuran-1,3-dione
CID 118197522
2-nitro-1-(2-nitronaphthalen-1-yl)sulfanylnaphthalene
CID 172732341

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline?
The IUPAC name of 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline (CID 143854531) is 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline.
What is the SMILES notation for 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline?
The canonical SMILES for 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline is O=[N+]([O-])c1ccc2ncccc2c1-c1c(Cl)ccc2ccccc12.
What is the InChIKey of 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline?
The InChIKey is OVVACINFAZHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-15-8-7-12-4-1-2-5-13(12)18(15)19-14-6-3-11-21-16(14)9-10-17(19)22(23)24/h1-11H.
What are the key properties of 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline?
5-(2-chloronaphthalen-1-yl)-6-nitroquinoline has a molecular weight of 334.76 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloronaphthalen-1-yl)-6-nitroquinoline is sourced from PubChem (CID 143854531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).