(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine

C20H19ClN2O — CID 158805373

IUPAC(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
SMILESClc1ccc2nc(Cc3ccc([C@H]4CNCCO4)cc3)ccc2c1
InChIInChI=1S/C20H19ClN2O/c21-17-6-8-19-16(12-17)5-7-18(23-19)11-14-1-3-15(4-2-14)20-13-22-9-10-24-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1
InChIKeyITZVBPLMCVGFIT-HXUWFJFHSA-N
MW338.84 g/mol
LogP4.14
Rot. Bonds3

About (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine

(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine (PubChem CID 158805373) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
PubChem CID158805373
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
SMILESClc1ccc2nc(Cc3ccc([C@H]4CNCCO4)cc3)ccc2c1
InChIInChI=1S/C20H19ClN2O/c21-17-6-8-19-16(12-17)5-7-18(23-19)11-14-1-3-15(4-2-14)20-13-22-9-10-24-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1
InChIKeyITZVBPLMCVGFIT-HXUWFJFHSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
2-(6-chloroquinolin-3-yl)-1,4-oxazepane
CID 82666527
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(7-chloro-3-methoxynaphthalen-2-yl)morpholine
CID 117445267
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine (CID 158805373) is (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine is Clc1ccc2nc(Cc3ccc([C@H]4CNCCO4)cc3)ccc2c1.
What is the InChIKey of (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine?
The InChIKey is ITZVBPLMCVGFIT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-17-6-8-19-16(12-17)5-7-18(23-19)11-14-1-3-15(4-2-14)20-13-22-9-10-24-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1.
What are the key properties of (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine?
(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine has a molecular weight of 338.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 158805373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).