N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine

C16H19ClN2O2 — CID 99938152

IUPACN-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
SMILESCN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1COCCO1
InChIInChI=1S/C16H19ClN2O2/c1-19(10-14-11-20-7-8-21-14)9-13-6-5-12-3-2-4-15(17)16(12)18-13/h2-6,14H,7-11H2,1H3/t14-/m0/s1
InChIKeyOXJNDACODLFSAD-AWEZNQCLSA-N
MW306.79 g/mol
LogP2.74
Rot. Bonds4

About N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine

N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine (PubChem CID 99938152) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
PubChem CID99938152
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
SMILESCN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1COCCO1
InChIInChI=1S/C16H19ClN2O2/c1-19(10-14-11-20-7-8-21-14)9-13-6-5-12-3-2-4-15(17)16(12)18-13/h2-6,14H,7-11H2,1H3/t14-/m0/s1
InChIKeyOXJNDACODLFSAD-AWEZNQCLSA-N
XLogP2.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-[(8-chloroquinolin-2-yl)methyl]-1-[(2R)-1,4-dioxan-2-yl]-N-methylmethanamine
CID 99938151
N-[(4-chloro-1-methylindazol-3-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
CID 99937992
1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
CID 77093431
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051
3-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-ylmethyl)-1-methylurea
CID 72903387
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77080814
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
N-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 77087229
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 155974225
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
CID 99928236

Frequently Asked Questions

What is the IUPAC name of N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The IUPAC name of N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine (CID 99938152) is N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The canonical SMILES for N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine is CN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1COCCO1.
What is the InChIKey of N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The InChIKey is OXJNDACODLFSAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-19(10-14-11-20-7-8-21-14)9-13-6-5-12-3-2-4-15(17)16(12)18-13/h2-6,14H,7-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine has a molecular weight of 306.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-chloroquinolin-2-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 99938152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).