morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone

C25H21N3O2S — CID 69175321

IUPACmorpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccnc2ccc(-c3cncc(S)c3)cc12)N1CCOCC1
InChIInChI=1S/C25H21N3O2S/c29-25(28-9-11-30-12-10-28)22-4-2-1-3-20(22)21-7-8-27-24-6-5-17(14-23(21)24)18-13-19(31)16-26-15-18/h1-8,13-16,31H,9-12H2
InChIKeyIPSLAXXZTXTNAE-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.72
Rot. Bonds3

About morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone

morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone (PubChem CID 69175321) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone
PubChem CID69175321
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Namemorpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccnc2ccc(-c3cncc(S)c3)cc12)N1CCOCC1
InChIInChI=1S/C25H21N3O2S/c29-25(28-9-11-30-12-10-28)22-4-2-1-3-20(22)21-7-8-27-24-6-5-17(14-23(21)24)18-13-19(31)16-26-15-18/h1-8,13-16,31H,9-12H2
InChIKeyIPSLAXXZTXTNAE-UHFFFAOYSA-N
XLogP4.72
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 90319937
CID 90319937
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
(2-phenylphenyl)-[6-(quinolin-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 175661509
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
6-morpholin-4-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 59859945
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[5-[3-(1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxyphenyl]-morpholin-4-ylmethanone
CID 59699723
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
3-morpholin-4-ylsulfinyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
CID 69175357

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone (CID 69175321) is morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone is O=C(c1ccccc1-c1ccnc2ccc(-c3cncc(S)c3)cc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone?
The InChIKey is IPSLAXXZTXTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c29-25(28-9-11-30-12-10-28)22-4-2-1-3-20(22)21-7-8-27-24-6-5-17(14-23(21)24)18-13-19(31)16-26-15-18/h1-8,13-16,31H,9-12H2.
What are the key properties of morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone?
morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone has a molecular weight of 427.53 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone is sourced from PubChem (CID 69175321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).