5-naphthalen-2-yloxy-8-nitroisoquinoline

C19H12N2O3 — CID 32678041

IUPAC5-naphthalen-2-yloxy-8-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c2ccncc12
InChIInChI=1S/C19H12N2O3/c22-21(23)18-7-8-19(16-9-10-20-12-17(16)18)24-15-6-5-13-3-1-2-4-14(13)11-15/h1-12H
InChIKeyAOVUWZISQOKTRO-UHFFFAOYSA-N
MW316.32 g/mol
LogP5.09
Rot. Bonds3

About 5-naphthalen-2-yloxy-8-nitroisoquinoline

5-naphthalen-2-yloxy-8-nitroisoquinoline (PubChem CID 32678041) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-naphthalen-2-yloxy-8-nitroisoquinoline.

Molecular Properties

Compound Name5-naphthalen-2-yloxy-8-nitroisoquinoline
PubChem CID32678041
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name5-naphthalen-2-yloxy-8-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c2ccncc12
InChIInChI=1S/C19H12N2O3/c22-21(23)18-7-8-19(16-9-10-20-12-17(16)18)24-15-6-5-13-3-1-2-4-14(13)11-15/h1-12H
InChIKeyAOVUWZISQOKTRO-UHFFFAOYSA-N
XLogP5.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 55.09
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

3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
5-(3,4-dimethylphenoxy)-8-nitroisoquinoline
CID 55356992
8-nitro-5-(3-propan-2-ylphenoxy)isoquinoline
CID 18226312
8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340
5-[(6-chloro-3-pyridinyl)oxy]-8-nitroisoquinoline
CID 133384113
4-nitro-3-(8-nitroisoquinolin-5-yl)oxybenzaldehyde
CID 133279580
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
5-(2-methoxy-4-prop-1-enylphenoxy)-8-nitroisoquinoline
CID 4783261
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
1-[3-chloro-4-(8-nitroisoquinolin-5-yl)oxyphenyl]ethanone
CID 133490831
2-(8-nitroisoquinolin-5-yl)oxypropan-1-amine
CID 82580497
[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yloxy-8-nitroisoquinoline?
The IUPAC name of 5-naphthalen-2-yloxy-8-nitroisoquinoline (CID 32678041) is 5-naphthalen-2-yloxy-8-nitroisoquinoline.
What is the SMILES notation for 5-naphthalen-2-yloxy-8-nitroisoquinoline?
The canonical SMILES for 5-naphthalen-2-yloxy-8-nitroisoquinoline is O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c2ccncc12.
What is the InChIKey of 5-naphthalen-2-yloxy-8-nitroisoquinoline?
The InChIKey is AOVUWZISQOKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-21(23)18-7-8-19(16-9-10-20-12-17(16)18)24-15-6-5-13-3-1-2-4-14(13)11-15/h1-12H.
What are the key properties of 5-naphthalen-2-yloxy-8-nitroisoquinoline?
5-naphthalen-2-yloxy-8-nitroisoquinoline has a molecular weight of 316.32 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yloxy-8-nitroisoquinoline is sourced from PubChem (CID 32678041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).