N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine

C17H21ClN2O — CID 63713066

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)CC1CCCOC1
InChIInChI=1S/C17H21ClN2O/c1-20(10-13-5-4-8-21-12-13)11-15-9-14-6-2-3-7-16(14)19-17(15)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyBHAOBQSLHUBWKZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.75
Rot. Bonds4

About N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine

N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 63713066) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID63713066
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)CC1CCCOC1
InChIInChI=1S/C17H21ClN2O/c1-20(10-13-5-4-8-21-12-13)11-15-9-14-6-2-3-7-16(14)19-17(15)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyBHAOBQSLHUBWKZ-UHFFFAOYSA-N
XLogP3.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine with MolForge

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Related Compounds

N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (CID 63713066) is N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is CN(Cc1cc2ccccc2nc1Cl)CC1CCCOC1.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is BHAOBQSLHUBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(10-13-5-4-8-21-12-13)11-15-9-14-6-2-3-7-16(14)19-17(15)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 304.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63713066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).