4-[4-(8-nitroquinolin-5-yl)butyl]morpholine

C17H21N3O3 — CID 153252525

IUPAC4-[4-(8-nitroquinolin-5-yl)butyl]morpholine
SMILESO=[N+]([O-])c1ccc(CCCCN2CCOCC2)c2cccnc12
InChIInChI=1S/C17H21N3O3/c21-20(22)16-7-6-14(15-5-3-8-18-17(15)16)4-1-2-9-19-10-12-23-13-11-19/h3,5-8H,1-2,4,9-13H2
InChIKeyKBDDTKMUIOWDFV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds6

About 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine

4-[4-(8-nitroquinolin-5-yl)butyl]morpholine (PubChem CID 153252525) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(8-nitroquinolin-5-yl)butyl]morpholine
PubChem CID153252525
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-[4-(8-nitroquinolin-5-yl)butyl]morpholine
SMILESO=[N+]([O-])c1ccc(CCCCN2CCOCC2)c2cccnc12
InChIInChI=1S/C17H21N3O3/c21-20(22)16-7-6-14(15-5-3-8-18-17(15)16)4-1-2-9-19-10-12-23-13-11-19/h3,5-8H,1-2,4,9-13H2
InChIKeyKBDDTKMUIOWDFV-UHFFFAOYSA-N
XLogP2.80
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorobutyl)-8-nitroquinoline
CID 63202545
(5-nitroquinolin-8-yl) morpholine-4-carboxylate
CID 175460735
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
CID 71678902
5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
CID 55189970
[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
CID 114399511
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine?
The IUPAC name of 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine (CID 153252525) is 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine.
What is the SMILES notation for 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine?
The canonical SMILES for 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine is O=[N+]([O-])c1ccc(CCCCN2CCOCC2)c2cccnc12.
What is the InChIKey of 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine?
The InChIKey is KBDDTKMUIOWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-20(22)16-7-6-14(15-5-3-8-18-17(15)16)4-1-2-9-19-10-12-23-13-11-19/h3,5-8H,1-2,4,9-13H2.
What are the key properties of 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine?
4-[4-(8-nitroquinolin-5-yl)butyl]morpholine has a molecular weight of 315.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-nitroquinolin-5-yl)butyl]morpholine is sourced from PubChem (CID 153252525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).