[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone

C22H23N3OS — CID 53001611

IUPAC[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cccc(C)c1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3OS/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyALWHGVBEPPBGJW-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.78
Rot. Bonds3

About [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone

[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 53001611) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID53001611
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cccc(C)c1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3OS/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyALWHGVBEPPBGJW-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001564
[4-(benzenesulfonyl)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 50757661
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
[6-chloro-4-(3,4-dichloroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53052673
[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 25072332
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
4-(2-methylanilino)quinoline-3-carboxylate
CID 19759621
1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 51135609

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone (CID 53001611) is [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone is Cc1cccc(C)c1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12.
What is the InChIKey of [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ALWHGVBEPPBGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24).
What are the key properties of [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 377.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 53001611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).