[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone

C16H17ClN2O2 — CID 81213690

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17ClN2O2/c1-11-10-21-13(8-17)9-19(11)16(20)14-6-2-4-12-5-3-7-18-15(12)14/h2-7,11,13H,8-10H2,1H3
InChIKeyFPCLFKYBYMWRIV-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.70
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone (PubChem CID 81213690) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone
PubChem CID81213690
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone
SMILESCC1COC(CCl)CN1C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17ClN2O2/c1-11-10-21-13(8-17)9-19(11)16(20)14-6-2-4-12-5-3-7-18-15(12)14/h2-7,11,13H,8-10H2,1H3
InChIKeyFPCLFKYBYMWRIV-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
(2-bromo-3-methylphenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 114024064
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 81213695
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone (CID 81213690) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone is CC1COC(CCl)CN1C(=O)c1cccc2cccnc12.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone?
The InChIKey is FPCLFKYBYMWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-10-21-13(8-17)9-19(11)16(20)14-6-2-4-12-5-3-7-18-15(12)14/h2-7,11,13H,8-10H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone has a molecular weight of 304.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 81213690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).