1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C16H19ClN2O2 — CID 104705086

IUPAC1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2ccc(Cl)c3cccnc23)CCOC1
InChIInChI=1S/C16H19ClN2O2/c1-20-16(6-8-21-11-16)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,18H,6,8-11H2,1H3
InChIKeyZUHHIOGXIGDHCA-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.78
Rot. Bonds5

About 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104705086) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104705086
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2ccc(Cl)c3cccnc23)CCOC1
InChIInChI=1S/C16H19ClN2O2/c1-20-16(6-8-21-11-16)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,18H,6,8-11H2,1H3
InChIKeyZUHHIOGXIGDHCA-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
1-(4-bromo-3-chlorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103581860
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 104759795
N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
CID 103581109
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104705086) is 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2ccc(Cl)c3cccnc23)CCOC1.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is ZUHHIOGXIGDHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-20-16(6-8-21-11-16)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,18H,6,8-11H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 306.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104705086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).