morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone

C20H17N3O5 — CID 17174929

IUPACmorpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
SMILESO=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1
InChIInChI=1S/C20H17N3O5/c24-20(22-10-12-27-13-11-22)15-4-1-2-6-17(15)28-18-8-7-16(23(25)26)14-5-3-9-21-19(14)18/h1-9H,10-13H2
InChIKeyAYLTYEAPWUQEDD-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.41
Rot. Bonds4

About morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone

morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone (PubChem CID 17174929) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
PubChem CID17174929
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namemorpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
SMILESO=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1
InChIInChI=1S/C20H17N3O5/c24-20(22-10-12-27-13-11-22)15-4-1-2-6-17(15)28-18-8-7-16(23(25)26)14-5-3-9-21-19(14)18/h1-9H,10-13H2
InChIKeyAYLTYEAPWUQEDD-UHFFFAOYSA-N
XLogP3.41
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.41
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

(5-nitroquinolin-8-yl) morpholine-4-carboxylate
CID 175460735
4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
CID 120528257
5-nitroquinoline-8-carboxylic acid
CID 15405331
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
8-(4-iodophenoxy)-5-nitroquinoline
CID 60726010
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone?
The IUPAC name of morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone (CID 17174929) is morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone is O=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone?
The InChIKey is AYLTYEAPWUQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c24-20(22-10-12-27-13-11-22)15-4-1-2-6-17(15)28-18-8-7-16(23(25)26)14-5-3-9-21-19(14)18/h1-9H,10-13H2.
What are the key properties of morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone?
morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone has a molecular weight of 379.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone is sourced from PubChem (CID 17174929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).