morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one

C17H22N4O5 — CID 158641955

IUPACmorpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one
SMILESC1COCCN1.O=c1cc(N2CCOCC2)c2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C13H13N3O4.C4H9NO/c17-13-8-12(15-3-5-20-6-4-15)10-2-1-9(16(18)19)7-11(10)14-13;1-3-6-4-2-5-1/h1-2,7-8H,3-6H2,(H,14,17);5H,1-4H2
InChIKeyIAMNAQGVCXXEPJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.88
Rot. Bonds2

About morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one

morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one (PubChem CID 158641955) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Namemorpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one
PubChem CID158641955
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Namemorpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one
SMILESC1COCCN1.O=c1cc(N2CCOCC2)c2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C13H13N3O4.C4H9NO/c17-13-8-12(15-3-5-20-6-4-15)10-2-1-9(16(18)19)7-11(10)14-13;1-3-6-4-2-5-1/h1-2,7-8H,3-6H2,(H,14,17);5H,1-4H2
InChIKeyIAMNAQGVCXXEPJ-UHFFFAOYSA-N
XLogP0.88
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
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

2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
ethane;6-methyl-4-morpholin-4-yl-1H-quinolin-2-one
CID 145235325
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
morpholine;nitrobenzene
CID 118511657
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
(2-morpholin-4-yl-5-nitrophenyl) hydrogen sulfite
CID 57221693
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
CID 67155951
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500

Frequently Asked Questions

What is the IUPAC name of morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one?
The IUPAC name of morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one (CID 158641955) is morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one.
What is the SMILES notation for morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one?
The canonical SMILES for morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one is C1COCCN1.O=c1cc(N2CCOCC2)c2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one?
The InChIKey is IAMNAQGVCXXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4.C4H9NO/c17-13-8-12(15-3-5-20-6-4-15)10-2-1-9(16(18)19)7-11(10)14-13;1-3-6-4-2-5-1/h1-2,7-8H,3-6H2,(H,14,17);5H,1-4H2.
What are the key properties of morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one?
morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one has a molecular weight of 362.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one is sourced from PubChem (CID 158641955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).