[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone

C15H15BrN2O2 — CID 81211794

IUPAC[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCOC(CBr)C1
InChIInChI=1S/C15H15BrN2O2/c16-9-12-10-18(7-8-20-12)15(19)13-5-1-3-11-4-2-6-17-14(11)13/h1-6,12H,7-10H2
InChIKeyIWQSCINDNKZAAZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.47
Rot. Bonds2

About [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone

[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone (PubChem CID 81211794) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
PubChem CID81211794
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCOC(CBr)C1
InChIInChI=1S/C15H15BrN2O2/c16-9-12-10-18(7-8-20-12)15(19)13-5-1-3-11-4-2-6-17-14(11)13/h1-6,12H,7-10H2
InChIKeyIWQSCINDNKZAAZ-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.47
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-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581
[2-(bromomethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81210238
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone (CID 81211794) is [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone?
The InChIKey is IWQSCINDNKZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-9-12-10-18(7-8-20-12)15(19)13-5-1-3-11-4-2-6-17-14(11)13/h1-6,12H,7-10H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone?
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone has a molecular weight of 335.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 81211794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).