6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine

C17H21ClN2O — CID 114780520

IUPAC6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine
SMILESCC1(C)CN(Cc2cccc3cccnc23)CC(CCl)O1
InChIInChI=1S/C17H21ClN2O/c1-17(2)12-20(11-15(9-18)21-17)10-14-6-3-5-13-7-4-8-19-16(13)14/h3-8,15H,9-12H2,1-2H3
InChIKeyNMYNSRCSGUXNKY-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.45
Rot. Bonds3

About 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine

6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine (PubChem CID 114780520) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine
PubChem CID114780520
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine
SMILESCC1(C)CN(Cc2cccc3cccnc23)CC(CCl)O1
InChIInChI=1S/C17H21ClN2O/c1-17(2)12-20(11-15(9-18)21-17)10-14-6-3-5-13-7-4-8-19-16(13)14/h3-8,15H,9-12H2,1-2H3
InChIKeyNMYNSRCSGUXNKY-UHFFFAOYSA-N
XLogP3.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.45
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

8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 114780491
N-ethyl-3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075566
3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 63074878
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine
CID 114780581
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
CID 114780679
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine (CID 114780520) is 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine is CC1(C)CN(Cc2cccc3cccnc23)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine?
The InChIKey is NMYNSRCSGUXNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2)12-20(11-15(9-18)21-17)10-14-6-3-5-13-7-4-8-19-16(13)14/h3-8,15H,9-12H2,1-2H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine?
6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine has a molecular weight of 304.82 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine is sourced from PubChem (CID 114780520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).