(5-nitroquinolin-8-yl) morpholine-4-carboxylate

C14H13N3O5 — CID 175460735

IUPAC(5-nitroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H13N3O5/c18-14(16-6-8-21-9-7-16)22-12-4-3-11(17(19)20)10-2-1-5-15-13(10)12/h1-5H,6-9H2
InChIKeyGLQAIXOUKFSHDC-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.97
Rot. Bonds2

About (5-nitroquinolin-8-yl) morpholine-4-carboxylate

(5-nitroquinolin-8-yl) morpholine-4-carboxylate (PubChem CID 175460735) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is (5-nitroquinolin-8-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(5-nitroquinolin-8-yl) morpholine-4-carboxylate
PubChem CID175460735
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name(5-nitroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H13N3O5/c18-14(16-6-8-21-9-7-16)22-12-4-3-11(17(19)20)10-2-1-5-15-13(10)12/h1-5H,6-9H2
InChIKeyGLQAIXOUKFSHDC-UHFFFAOYSA-N
XLogP1.97
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
CID 17174929
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
5-nitroquinoline-8-carboxylic acid
CID 15405331
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
(5-nitroquinolin-8-yl) 1-acetyl-2-methylpyrrolidine-2-carboperoxoate
CID 146455590

Frequently Asked Questions

What is the IUPAC name of (5-nitroquinolin-8-yl) morpholine-4-carboxylate?
The IUPAC name of (5-nitroquinolin-8-yl) morpholine-4-carboxylate (CID 175460735) is (5-nitroquinolin-8-yl) morpholine-4-carboxylate.
What is the SMILES notation for (5-nitroquinolin-8-yl) morpholine-4-carboxylate?
The canonical SMILES for (5-nitroquinolin-8-yl) morpholine-4-carboxylate is O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1.
What is the InChIKey of (5-nitroquinolin-8-yl) morpholine-4-carboxylate?
The InChIKey is GLQAIXOUKFSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-14(16-6-8-21-9-7-16)22-12-4-3-11(17(19)20)10-2-1-5-15-13(10)12/h1-5H,6-9H2.
What are the key properties of (5-nitroquinolin-8-yl) morpholine-4-carboxylate?
(5-nitroquinolin-8-yl) morpholine-4-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitroquinolin-8-yl) morpholine-4-carboxylate is sourced from PubChem (CID 175460735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).