4-morpholin-4-yl-7-nitroquinolin-8-ol

C13H13N3O4 — CID 166150251

IUPAC4-morpholin-4-yl-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc2c(N3CCOCC3)ccnc2c1O
InChIInChI=1S/C13H13N3O4/c17-13-11(16(18)19)2-1-9-10(3-4-14-12(9)13)15-5-7-20-8-6-15/h1-4,17H,5-8H2
InChIKeyWDDJEHLTFZZDKN-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.69
Rot. Bonds2

About 4-morpholin-4-yl-7-nitroquinolin-8-ol

4-morpholin-4-yl-7-nitroquinolin-8-ol (PubChem CID 166150251) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-morpholin-4-yl-7-nitroquinolin-8-ol.

Molecular Properties

Compound Name4-morpholin-4-yl-7-nitroquinolin-8-ol
PubChem CID166150251
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-morpholin-4-yl-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc2c(N3CCOCC3)ccnc2c1O
InChIInChI=1S/C13H13N3O4/c17-13-11(16(18)19)2-1-9-10(3-4-14-12(9)13)15-5-7-20-8-6-15/h1-4,17H,5-8H2
InChIKeyWDDJEHLTFZZDKN-UHFFFAOYSA-N
XLogP1.69
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

4-imidazol-1-yl-7-nitroquinolin-8-ol
CID 166150167
4-(2-methylpiperidin-1-yl)-7-nitroquinolin-8-ol
CID 167216788
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
morpholin-4-yl-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methanone
CID 51322859
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
CID 151690779
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-7-nitroquinolin-8-ol?
The IUPAC name of 4-morpholin-4-yl-7-nitroquinolin-8-ol (CID 166150251) is 4-morpholin-4-yl-7-nitroquinolin-8-ol.
What is the SMILES notation for 4-morpholin-4-yl-7-nitroquinolin-8-ol?
The canonical SMILES for 4-morpholin-4-yl-7-nitroquinolin-8-ol is O=[N+]([O-])c1ccc2c(N3CCOCC3)ccnc2c1O.
What is the InChIKey of 4-morpholin-4-yl-7-nitroquinolin-8-ol?
The InChIKey is WDDJEHLTFZZDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-13-11(16(18)19)2-1-9-10(3-4-14-12(9)13)15-5-7-20-8-6-15/h1-4,17H,5-8H2.
What are the key properties of 4-morpholin-4-yl-7-nitroquinolin-8-ol?
4-morpholin-4-yl-7-nitroquinolin-8-ol has a molecular weight of 275.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-7-nitroquinolin-8-ol is sourced from PubChem (CID 166150251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).