[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone

C19H18N4O2 — CID 124966222

IUPAC[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1
InChIInChI=1S/C19H18N4O2/c1-13-20-9-7-17(22-13)18-12-23(10-11-25-18)19(24)15-4-2-6-16-14(15)5-3-8-21-16/h2-9,18H,10-12H2,1H3/t18-/m0/s1
InChIKeyIKJBUJQLHSDDLF-SFHVURJKSA-N
MW334.38 g/mol
LogP2.55
Rot. Bonds2

About [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone (PubChem CID 124966222) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
PubChem CID124966222
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1
InChIInChI=1S/C19H18N4O2/c1-13-20-9-7-17(22-13)18-12-23(10-11-25-18)19(24)15-4-2-6-16-14(15)5-3-8-21-16/h2-9,18H,10-12H2,1H3/t18-/m0/s1
InChIKeyIKJBUJQLHSDDLF-SFHVURJKSA-N
XLogP2.55
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.55
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
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124957262
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115890
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
CID 95830957
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone (CID 124966222) is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone is Cc1nccc([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1.
What is the InChIKey of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The InChIKey is IKJBUJQLHSDDLF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-20-9-7-17(22-13)18-12-23(10-11-25-18)19(24)15-4-2-6-16-14(15)5-3-8-21-16/h2-9,18H,10-12H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 124966222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).