1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine

C17H22ClN3 — CID 116784923

IUPAC1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)c3cccnc23)C(C)C1C
InChIInChI=1S/C17H22ClN3/c1-11-12(2)21(10-8-15(11)19-3)16-7-6-14(18)13-5-4-9-20-17(13)16/h4-7,9,11-12,15,19H,8,10H2,1-3H3
InChIKeyDHBITEJWBGUMJT-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.71
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine

1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 116784923) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID116784923
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)c3cccnc23)C(C)C1C
InChIInChI=1S/C17H22ClN3/c1-11-12(2)21(10-8-15(11)19-3)16-7-6-14(18)13-5-4-9-20-17(13)16/h4-7,9,11-12,15,19H,8,10H2,1-3H3
InChIKeyDHBITEJWBGUMJT-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 107528747
1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
CID 116785595
1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396868
5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
CID 116785639
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
CID 116785711
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
CID 60927459
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine (CID 116784923) is 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(Cl)c3cccnc23)C(C)C1C.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is DHBITEJWBGUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11-12(2)21(10-8-15(11)19-3)16-7-6-14(18)13-5-4-9-20-17(13)16/h4-7,9,11-12,15,19H,8,10H2,1-3H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine?
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 116784923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).