4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine

C19H17N3O3S — CID 2854459

IUPAC4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S/c23-22(24)16-7-6-15(21-9-11-25-12-10-21)13-18(16)26-17-5-1-3-14-4-2-8-20-19(14)17/h1-8,13H,9-12H2
InChIKeyAZBIQQHTTHQUND-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.13
Rot. Bonds4

About 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine

4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine (PubChem CID 2854459) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine
PubChem CID2854459
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S/c23-22(24)16-7-6-15(21-9-11-25-12-10-21)13-18(16)26-17-5-1-3-14-4-2-8-20-19(14)17/h1-8,13H,9-12H2
InChIKeyAZBIQQHTTHQUND-UHFFFAOYSA-N
XLogP4.13
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
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

8-(2-nitro-5-piperazin-1-ylphenyl)sulfanylquinoline
CID 2771416
8-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]sulfanylquinoline
CID 2891457
1-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-4-ium
CID 7124503
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
8-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfanylquinoline
CID 171977947
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]aniline
CID 124530195
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
4-(3-benzyl-4-nitrophenyl)morpholine
CID 58425611
4-nitro-N-[(Z)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)sulfonylaniline
CID 124598206
1-(8-nitroquinolin-6-yl)ethanone
CID 166162234
2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
CID 133436556

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine?
The IUPAC name of 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine (CID 2854459) is 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine.
What is the SMILES notation for 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine?
The canonical SMILES for 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1cccc2cccnc12.
What is the InChIKey of 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine?
The InChIKey is AZBIQQHTTHQUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-22(24)16-7-6-15(21-9-11-25-12-10-21)13-18(16)26-17-5-1-3-14-4-2-8-20-19(14)17/h1-8,13H,9-12H2.
What are the key properties of 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine?
4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine has a molecular weight of 367.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine is sourced from PubChem (CID 2854459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).