1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine

C16H20ClN3 — CID 115959704

IUPAC1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1N
InChIInChI=1S/C16H20ClN3/c1-11-6-8-20(10-15(11)18)9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-5,7,11,15H,6,8-10,18H2,1H3
InChIKeyUGICWTQAFLXWFI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.06
Rot. Bonds2

About 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine

1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine (PubChem CID 115959704) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
PubChem CID115959704
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1N
InChIInChI=1S/C16H20ClN3/c1-11-6-8-20(10-15(11)18)9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-5,7,11,15H,6,8-10,18H2,1H3
InChIKeyUGICWTQAFLXWFI-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine (CID 115959704) is 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine is CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1N.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine?
The InChIKey is UGICWTQAFLXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11-6-8-20(10-15(11)18)9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-5,7,11,15H,6,8-10,18H2,1H3.
What are the key properties of 1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine?
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.06, 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)methyl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 115959704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).