1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine

C17H22ClN3O — CID 95349360

IUPAC1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(Cc2cc(Cl)cc3cccnc23)CCO1
InChIInChI=1S/C17H22ClN3O/c1-20(2)11-16-12-21(6-7-22-16)10-14-9-15(18)8-13-4-3-5-19-17(13)14/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1
InChIKeyHYRRFQBNDDKVCF-INIZCTEOSA-N
MW319.84 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 95349360) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID95349360
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(Cc2cc(Cl)cc3cccnc23)CCO1
InChIInChI=1S/C17H22ClN3O/c1-20(2)11-16-12-21(6-7-22-16)10-14-9-15(18)8-13-4-3-5-19-17(13)14/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1
InChIKeyHYRRFQBNDDKVCF-INIZCTEOSA-N
XLogP2.65
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120782193
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769662
6-chloro-8-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
CID 120826404
N,N-dimethyl-1-[(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 95345198
2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570878
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine (CID 95349360) is 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1CN(Cc2cc(Cl)cc3cccnc23)CCO1.
What is the InChIKey of 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is HYRRFQBNDDKVCF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-20(2)11-16-12-21(6-7-22-16)10-14-9-15(18)8-13-4-3-5-19-17(13)14/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 319.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 95349360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).