5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid

C15H14N2O5 — CID 54858952

IUPAC5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(N3CCOCC3)ccc([N+](=O)[O-])c12
InChIInChI=1S/C15H14N2O5/c18-15(19)11-3-1-2-10-12(16-6-8-22-9-7-16)4-5-13(14(10)11)17(20)21/h1-5H,6-9H2,(H,18,19)
InChIKeyGSUFKCMLLOFGOJ-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.28
Rot. Bonds3

About 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid

5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid (PubChem CID 54858952) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
PubChem CID54858952
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(N3CCOCC3)ccc([N+](=O)[O-])c12
InChIInChI=1S/C15H14N2O5/c18-15(19)11-3-1-2-10-12(16-6-8-22-9-7-16)4-5-13(14(10)11)17(20)21/h1-5H,6-9H2,(H,18,19)
InChIKeyGSUFKCMLLOFGOJ-UHFFFAOYSA-N
XLogP2.28
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
2-[2-(4-morpholin-4-yl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 4833785
1-(4,8-dinitronaphthalen-1-yl)pyrrolidine
CID 71413461
8-chloro-5-nitronaphthalene-1-carboxylic acid
CID 131851989
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 138624235
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
morpholin-4-yl-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methanone
CID 51322859
4-morpholin-4-yl-7-nitroquinolin-8-ol
CID 166150251

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid?
The IUPAC name of 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid (CID 54858952) is 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid?
The canonical SMILES for 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(N3CCOCC3)ccc([N+](=O)[O-])c12.
What is the InChIKey of 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid?
The InChIKey is GSUFKCMLLOFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-15(19)11-3-1-2-10-12(16-6-8-22-9-7-16)4-5-13(14(10)11)17(20)21/h1-5H,6-9H2,(H,18,19).
What are the key properties of 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid?
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid is sourced from PubChem (CID 54858952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).