4-(5,7-dinitroquinolin-8-yl)morpholine

C13H12N4O5 — CID 2840950

IUPAC4-(5,7-dinitroquinolin-8-yl)morpholine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1N1CCOCC1
InChIInChI=1S/C13H12N4O5/c18-16(19)10-8-11(17(20)21)13(15-4-6-22-7-5-15)12-9(10)2-1-3-14-12/h1-3,8H,4-7H2
InChIKeyMCGIKONWYKDOFW-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.89
Rot. Bonds3

About 4-(5,7-dinitroquinolin-8-yl)morpholine

4-(5,7-dinitroquinolin-8-yl)morpholine (PubChem CID 2840950) has the molecular formula C13H12N4O5 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-(5,7-dinitroquinolin-8-yl)morpholine.

Molecular Properties

Compound Name4-(5,7-dinitroquinolin-8-yl)morpholine
PubChem CID2840950
Molecular FormulaC13H12N4O5
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name4-(5,7-dinitroquinolin-8-yl)morpholine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1N1CCOCC1
InChIInChI=1S/C13H12N4O5/c18-16(19)10-8-11(17(20)21)13(15-4-6-22-7-5-15)12-9(10)2-1-3-14-12/h1-3,8H,4-7H2
InChIKeyMCGIKONWYKDOFW-UHFFFAOYSA-N
XLogP1.89
TPSA111.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-Nitro-1,10-phenanthroline
CID 72790
Troquidazole
CID 65903
(2S)-1-amino-3-((5-nitroquinolin-8-yl)amino)propan-2-ol
CID 6540273
N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 2829587
4-(8-Nitro-4-quinolyl)morpholine
CID 2960528
N-ethyl-N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 3096073
5-Morpholin-4-yl-8-nitro-quinoline
CID 3135677
8-(4-Methylpiperazin-1-yl)-5-nitroquinoline
CID 2829619
8-Nitroquinolin-5-amine
CID 5297195
6-Nitroquinolin-5-ylamine
CID 118901
3-morpholino-N-(3-nitrobenzy l)-7-(trifluoromethyl)quinolin-5-amine
CID 52937219
4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine
CID 2855251

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dinitroquinolin-8-yl)morpholine?
The IUPAC name of 4-(5,7-dinitroquinolin-8-yl)morpholine (CID 2840950) is 4-(5,7-dinitroquinolin-8-yl)morpholine.
What is the SMILES notation for 4-(5,7-dinitroquinolin-8-yl)morpholine?
The canonical SMILES for 4-(5,7-dinitroquinolin-8-yl)morpholine is O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1N1CCOCC1.
What is the InChIKey of 4-(5,7-dinitroquinolin-8-yl)morpholine?
The InChIKey is MCGIKONWYKDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5/c18-16(19)10-8-11(17(20)21)13(15-4-6-22-7-5-15)12-9(10)2-1-3-14-12/h1-3,8H,4-7H2.
What are the key properties of 4-(5,7-dinitroquinolin-8-yl)morpholine?
4-(5,7-dinitroquinolin-8-yl)morpholine has a molecular weight of 304.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dinitroquinolin-8-yl)morpholine is sourced from PubChem (CID 2840950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).