4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine

C15H20N2O4 — CID 134427446

IUPAC4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESCOc1cc2c(cc1[N+](=O)[O-])CCC(N1CCOCC1)C2
InChIInChI=1S/C15H20N2O4/c1-20-15-10-12-8-13(16-4-6-21-7-5-16)3-2-11(12)9-14(15)17(18)19/h9-10,13H,2-8H2,1H3
InChIKeyCRNRZXCRAWFMRT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.79
Rot. Bonds3

About 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine

4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (PubChem CID 134427446) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.

Molecular Properties

Compound Name4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
PubChem CID134427446
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESCOc1cc2c(cc1[N+](=O)[O-])CCC(N1CCOCC1)C2
InChIInChI=1S/C15H20N2O4/c1-20-15-10-12-8-13(16-4-6-21-7-5-16)3-2-11(12)9-14(15)17(18)19/h9-10,13H,2-8H2,1H3
InChIKeyCRNRZXCRAWFMRT-UHFFFAOYSA-N
XLogP1.79
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
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-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
1-[1-[2-methoxy-4-nitro-5-(oxan-4-yl)phenyl]piperidin-4-yl]-4-methylpiperazine
CID 166710961
3-methoxy-N-(2-methoxyethyl)-2-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 67264674
N-(3-methoxy-4-nitrophenyl)morpholin-4-amine
CID 83026270
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744
3-[3-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]propyl]-7-methoxy-8-nitro-2,5-dihydro-1H-3-benzazepin-4-one
CID 23324567
4-[(3S,4R)-1-(3-methoxy-4-nitrophenyl)-4-methylpyrrolidin-3-yl]morpholine
CID 125131031
(2S)-5-methoxy-2-methyl-6-nitro-2,3-dihydro-1H-indole;hydrochloride
CID 67316649
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657
4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
CID 126836069
[(2S)-1-(deuteriomethyl)pyrrolidin-2-yl]-(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)methanone
CID 141233004
4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide
CID 67126570

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The IUPAC name of 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (CID 134427446) is 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.
What is the SMILES notation for 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The canonical SMILES for 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine is COc1cc2c(cc1[N+](=O)[O-])CCC(N1CCOCC1)C2.
What is the InChIKey of 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The InChIKey is CRNRZXCRAWFMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15-10-12-8-13(16-4-6-21-7-5-16)3-2-11(12)9-14(15)17(18)19/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine has a molecular weight of 292.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine is sourced from PubChem (CID 134427446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).