(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone

C23H21N5O4S2 — CID 25352093

IUPAC(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone
SMILESCn1ccnc1C(=O)c1cc(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc2ccccc12
InChIInChI=1S/C23H21N5O4S2/c1-27-9-8-24-23(27)22(29)18-14-21(26-19-5-3-2-4-17(18)19)33-20-7-6-16(15-25-20)34(30,31)28-10-12-32-13-11-28/h2-9,14-15H,10-13H2,1H3
InChIKeyFIPMUEHQDGVREJ-UHFFFAOYSA-N
MW495.59 g/mol
LogP2.77
Rot. Bonds6

About (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone

(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone (PubChem CID 25352093) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone
PubChem CID25352093
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC Name(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone
SMILESCn1ccnc1C(=O)c1cc(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc2ccccc12
InChIInChI=1S/C23H21N5O4S2/c1-27-9-8-24-23(27)22(29)18-14-21(26-19-5-3-2-4-17(18)19)33-20-7-6-16(15-25-20)34(30,31)28-10-12-32-13-11-28/h2-9,14-15H,10-13H2,1H3
InChIKeyFIPMUEHQDGVREJ-UHFFFAOYSA-N
XLogP2.77
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 40919685
(2S)-1-(1H-indol-3-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 41103443
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
CID 55638328
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
(2R)-N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 40968697
N,N-bis(2-methylpropyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377579
4-[[6-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 28565686
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone (CID 25352093) is (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone is Cn1ccnc1C(=O)c1cc(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc2ccccc12.
What is the InChIKey of (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone?
The InChIKey is FIPMUEHQDGVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-27-9-8-24-23(27)22(29)18-14-21(26-19-5-3-2-4-17(18)19)33-20-7-6-16(15-25-20)34(30,31)28-10-12-32-13-11-28/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone?
(1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone has a molecular weight of 495.59 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]quinolin-4-yl]methanone is sourced from PubChem (CID 25352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).