7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine

C16H20ClN3 — CID 106642854

IUPAC7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
SMILESCN(CC1CCCNC1)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-20(11-12-3-2-7-18-10-12)16-6-8-19-15-9-13(17)4-5-14(15)16/h4-6,8-9,12,18H,2-3,7,10-11H2,1H3
InChIKeyDTWWJLOZKWQPJW-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.32
Rot. Bonds3

About 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine

7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine (PubChem CID 106642854) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
PubChem CID106642854
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
SMILESCN(CC1CCCNC1)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-20(11-12-3-2-7-18-10-12)16-6-8-19-15-9-13(17)4-5-14(15)16/h4-6,8-9,12,18H,2-3,7,10-11H2,1H3
InChIKeyDTWWJLOZKWQPJW-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
N,2-dimethyl-N-(piperidin-3-ylmethyl)pyridin-4-amine
CID 83837363
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine (CID 106642854) is 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine is CN(CC1CCCNC1)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine?
The InChIKey is DTWWJLOZKWQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(11-12-3-2-7-18-10-12)16-6-8-19-15-9-13(17)4-5-14(15)16/h4-6,8-9,12,18H,2-3,7,10-11H2,1H3.
What are the key properties of 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine?
7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 106642854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).