morpholine;2-nitro-4-(2-phenylethenyl)quinoline

C21H21N3O3 — CID 174359410

IUPACmorpholine;2-nitro-4-(2-phenylethenyl)quinoline
SMILESC1COCCN1.O=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H12N2O2.C4H9NO/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17;1-3-6-4-2-5-1/h1-12H;5H,1-4H2
InChIKeyRFRJZNQQBZQJSR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.92
Rot. Bonds3

About morpholine;2-nitro-4-(2-phenylethenyl)quinoline

morpholine;2-nitro-4-(2-phenylethenyl)quinoline (PubChem CID 174359410) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is morpholine;2-nitro-4-(2-phenylethenyl)quinoline.

Molecular Properties

Compound Namemorpholine;2-nitro-4-(2-phenylethenyl)quinoline
PubChem CID174359410
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemorpholine;2-nitro-4-(2-phenylethenyl)quinoline
SMILESC1COCCN1.O=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H12N2O2.C4H9NO/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17;1-3-6-4-2-5-1/h1-12H;5H,1-4H2
InChIKeyRFRJZNQQBZQJSR-UHFFFAOYSA-N
XLogP3.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitro-4-(2-phenylethenyl)quinoline
CID 57009793
morpholine;nitrobenzene
CID 118511657
4-bromo-2-nitroquinoline
CID 150997000
2-[(E)-2-chloroethenyl]-4-nitroquinoline
CID 19035003
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
2-[2-(4-morpholin-4-yl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 4833785
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
6-nitro-2-(2-phenylethenyl)quinoline
CID 54158128
5-nitro-2-[(E)-2-phenylethenyl]benzonitrile
CID 6255915
morpholine;prop-2-enoic acid;styrene
CID 6455850

Frequently Asked Questions

What is the IUPAC name of morpholine;2-nitro-4-(2-phenylethenyl)quinoline?
The IUPAC name of morpholine;2-nitro-4-(2-phenylethenyl)quinoline (CID 174359410) is morpholine;2-nitro-4-(2-phenylethenyl)quinoline.
What is the SMILES notation for morpholine;2-nitro-4-(2-phenylethenyl)quinoline?
The canonical SMILES for morpholine;2-nitro-4-(2-phenylethenyl)quinoline is C1COCCN1.O=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of morpholine;2-nitro-4-(2-phenylethenyl)quinoline?
The InChIKey is RFRJZNQQBZQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2.C4H9NO/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17;1-3-6-4-2-5-1/h1-12H;5H,1-4H2.
What are the key properties of morpholine;2-nitro-4-(2-phenylethenyl)quinoline?
morpholine;2-nitro-4-(2-phenylethenyl)quinoline has a molecular weight of 363.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;2-nitro-4-(2-phenylethenyl)quinoline is sourced from PubChem (CID 174359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).