[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone

C19H20N4O2 — CID 125013448

IUPAC[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-22(2)18(21-13)17-12-23(9-10-25-17)19(24)15-5-3-7-16-14(15)6-4-8-20-16/h3-8,11,17H,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyWFGKKSRNFDBXPW-KRWDZBQOSA-N
MW336.40 g/mol
LogP2.49
Rot. Bonds2

About [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone

[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone (PubChem CID 125013448) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
PubChem CID125013448
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-22(2)18(21-13)17-12-23(9-10-25-17)19(24)15-5-3-7-16-14(15)6-4-8-20-16/h3-8,11,17H,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyWFGKKSRNFDBXPW-KRWDZBQOSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124957262
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
CID 95830957

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone (CID 125013448) is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone is Cc1cn(C)c([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1.
What is the InChIKey of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The InChIKey is WFGKKSRNFDBXPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-22(2)18(21-13)17-12-23(9-10-25-17)19(24)15-5-3-7-16-14(15)6-4-8-20-16/h3-8,11,17H,9-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 125013448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).