3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine

C15H17ClN2O — CID 114203594

IUPAC3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine
SMILESClCC1COCCN1Cc1cnc2ccccc2c1
InChIInChI=1S/C15H17ClN2O/c16-8-14-11-19-6-5-18(14)10-12-7-13-3-1-2-4-15(13)17-9-12/h1-4,7,9,14H,5-6,8,10-11H2
InChIKeyIKTJWBKLHINWHE-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.67
Rot. Bonds3

About 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine

3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine (PubChem CID 114203594) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine
PubChem CID114203594
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine
SMILESClCC1COCCN1Cc1cnc2ccccc2c1
InChIInChI=1S/C15H17ClN2O/c16-8-14-11-19-6-5-18(14)10-12-7-13-3-1-2-4-15(13)17-9-12/h1-4,7,9,14H,5-6,8,10-11H2
InChIKeyIKTJWBKLHINWHE-UHFFFAOYSA-N
XLogP2.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.67
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

3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
CID 162822083
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
CID 103050076
(3R)-3-propyl-4-(quinolin-2-ylmethyl)morpholine
CID 95129378
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
1-[(4S)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 75411118
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
3-ethyl-1-(quinolin-3-ylmethyl)azetidin-3-amine
CID 114203611
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine?
The IUPAC name of 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine (CID 114203594) is 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine.
What is the SMILES notation for 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine?
The canonical SMILES for 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine is ClCC1COCCN1Cc1cnc2ccccc2c1.
What is the InChIKey of 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine?
The InChIKey is IKTJWBKLHINWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-8-14-11-19-6-5-18(14)10-12-7-13-3-1-2-4-15(13)17-9-12/h1-4,7,9,14H,5-6,8,10-11H2.
What are the key properties of 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine?
3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine has a molecular weight of 276.77 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine is sourced from PubChem (CID 114203594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).