1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine

C17H22ClN3 — CID 63902353

IUPAC1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cc3ccccc3nc2Cl)C1
InChIInChI=1S/C17H22ClN3/c1-20(2)15-7-5-9-21(12-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3
InChIKeyQZQYQCBTDSFECK-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.41
Rot. Bonds3

About 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 63902353) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID63902353
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cc3ccccc3nc2Cl)C1
InChIInChI=1S/C17H22ClN3/c1-20(2)15-7-5-9-21(12-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3
InChIKeyQZQYQCBTDSFECK-UHFFFAOYSA-N
XLogP3.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
4-[(2-chloroquinolin-3-yl)methyl]-2-methyl-1,4-oxazepane
CID 62988336
2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
CID 95154123
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
2-chloro-3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 63611068
2-chloro-3-[(3,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 63874080
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 164637157
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine (CID 63902353) is 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2cc3ccccc3nc2Cl)C1.
What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is QZQYQCBTDSFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-20(2)15-7-5-9-21(12-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3.
What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 63902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).