[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone

C18H18N4O2 — CID 124996414

IUPAC[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)16-11-24-8-7-22(16)18(23)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyQSUJPBUGMWBXFP-MRXNPFEDSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds2

About [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone (PubChem CID 124996414) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
PubChem CID124996414
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)16-11-24-8-7-22(16)18(23)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyQSUJPBUGMWBXFP-MRXNPFEDSA-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

(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105498
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone (CID 124996414) is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone is Cc1cnc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
The InChIKey is QSUJPBUGMWBXFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-10-20-17(21-12)16-11-24-8-7-22(16)18(23)14-4-5-15-13(9-14)3-2-6-19-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone?
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-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 [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 124996414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).