[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone

C20H20N4O2 — CID 110115591

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C)nc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1
InChIInChI=1S/C20H20N4O2/c1-13-10-14(2)23-19(22-13)18-12-24(8-9-26-18)20(25)16-5-6-17-15(11-16)4-3-7-21-17/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyWDANHANYMRPATR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.86
Rot. Bonds2

About [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone

[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone (PubChem CID 110115591) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
PubChem CID110115591
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C)nc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1
InChIInChI=1S/C20H20N4O2/c1-13-10-14(2)23-19(22-13)18-12-24(8-9-26-18)20(25)16-5-6-17-15(11-16)4-3-7-21-17/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyWDANHANYMRPATR-UHFFFAOYSA-N
XLogP2.86
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110115566
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536
1-[(5aR,9aS)-8-(quinoline-6-carbonyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97403439
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 110113455
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone (CID 110115591) is [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone is Cc1cc(C)nc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The InChIKey is WDANHANYMRPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-10-14(2)23-19(22-13)18-12-24(8-9-26-18)20(25)16-5-6-17-15(11-16)4-3-7-21-17/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 110115591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).