3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine

C18H20N4O — CID 110105436

IUPAC3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
SMILESCc1cnc(C2COCCN2Cc2ccnc3ccccc23)[nH]1
InChIInChI=1S/C18H20N4O/c1-13-10-20-18(21-13)17-12-23-9-8-22(17)11-14-6-7-19-16-5-3-2-4-15(14)16/h2-7,10,17H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyQHQAORSEDOBFSU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.84
Rot. Bonds3

About 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine

3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine (PubChem CID 110105436) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
PubChem CID110105436
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
SMILESCc1cnc(C2COCCN2Cc2ccnc3ccccc23)[nH]1
InChIInChI=1S/C18H20N4O/c1-13-10-20-18(21-13)17-12-23-9-8-22(17)11-14-6-7-19-16-5-3-2-4-15(14)16/h2-7,10,17H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyQHQAORSEDOBFSU-UHFFFAOYSA-N
XLogP2.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine (CID 110105436) is 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine is Cc1cnc(C2COCCN2Cc2ccnc3ccccc23)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine?
The InChIKey is QHQAORSEDOBFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-10-20-18(21-13)17-12-23-9-8-22(17)11-14-6-7-19-16-5-3-2-4-15(14)16/h2-7,10,17H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine?
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine has a molecular weight of 308.38 g/mol, XLogP of 2.84, 3 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)-4-(quinolin-4-ylmethyl)morpholine is sourced from PubChem (CID 110105436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).