(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine

C14H15BrN2O — CID 134287285

IUPAC(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN2O/c1-10-9-18-7-6-17(10)14-5-2-11-8-12(15)3-4-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3/t10-/m0/s1
InChIKeyJSNDQEPKYQXXBM-JTQLQIEISA-N
MW307.19 g/mol
LogP3.22
Rot. Bonds1

About (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine

(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine (PubChem CID 134287285) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine
PubChem CID134287285
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN2O/c1-10-9-18-7-6-17(10)14-5-2-11-8-12(15)3-4-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3/t10-/m0/s1
InChIKeyJSNDQEPKYQXXBM-JTQLQIEISA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
CID 90460659
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-(5-bromo-2-methoxyphenyl)-3-methylmorpholine
CID 175067337
1-[5-bromo-2-(3-methylmorpholin-4-yl)phenyl]ethanone
CID 82967588
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
5-bromo-N'-hydroxy-2-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 114892403

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine (CID 134287285) is (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine is C[C@H]1COCCN1c1ccc2cc(Br)ccc2n1.
What is the InChIKey of (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine?
The InChIKey is JSNDQEPKYQXXBM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-9-18-7-6-17(10)14-5-2-11-8-12(15)3-4-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine?
(3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine has a molecular weight of 307.19 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(6-bromoquinolin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 134287285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).