[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone

C18H17N3O2S — CID 97486089

IUPAC[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1nc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C18H17N3O2S/c1-12-20-16(11-24-12)17-10-23-8-7-21(17)18(22)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9,11,17H,7-8,10H2,1H3/t17-/m1/s1
InChIKeyLYXVNVQYWVYOSC-QGZVFWFLSA-N
MW339.42 g/mol
LogP3.21
Rot. Bonds2

About [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone

[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone (PubChem CID 97486089) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
PubChem CID97486089
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1nc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C18H17N3O2S/c1-12-20-16(11-24-12)17-10-23-8-7-21(17)18(22)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9,11,17H,7-8,10H2,1H3/t17-/m1/s1
InChIKeyLYXVNVQYWVYOSC-QGZVFWFLSA-N
XLogP3.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842614
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid
CID 155846689
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone (CID 97486089) is [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone is Cc1nc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)cs1.
What is the InChIKey of [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The InChIKey is LYXVNVQYWVYOSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-20-16(11-24-12)17-10-23-8-7-21(17)18(22)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9,11,17H,7-8,10H2,1H3/t17-/m1/s1.
What are the key properties of [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 97486089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).