[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone

C18H18N4O2 — CID 110105482

IUPAC[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
SMILESCc1cnc(C2COCCN2C(=O)c2cccc3cccnc23)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)15-11-24-9-8-22(15)18(23)14-6-2-4-13-5-3-7-19-16(13)14/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeySHWVRNQDIZFWBK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds2

About [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone

[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone (PubChem CID 110105482) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
PubChem CID110105482
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
SMILESCc1cnc(C2COCCN2C(=O)c2cccc3cccnc23)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)15-11-24-9-8-22(15)18(23)14-6-2-4-13-5-3-7-19-16(13)14/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeySHWVRNQDIZFWBK-UHFFFAOYSA-N
XLogP2.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105498
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 124998854
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone?
The IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone (CID 110105482) is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone is Cc1cnc(C2COCCN2C(=O)c2cccc3cccnc23)[nH]1.
What is the InChIKey of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone?
The InChIKey is SHWVRNQDIZFWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)15-11-24-9-8-22(15)18(23)14-6-2-4-13-5-3-7-19-16(13)14/h2-7,10,15H,8-9,11H2,1H3,(H,20,21).
What are the key properties of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone?
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 110105482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).